data_2l92_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2l92 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 55.3 tttp . . . . . 0 N--CA 1.476 0.843 0 N-CA-C 112.983 0.735 . . . . 1.0 112.983 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 -137.68 150.71 47.57 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.735 1.214 . . . . 1.0 111.139 -177.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 56.6 ttt180 -145.11 116.21 7.89 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.531 1.132 . . . . 1.0 112.075 174.295 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -63.78 119.09 51.44 Favored Pre-proline 0 CA--C 1.549 0.913 0 C-N-CA 125.664 1.586 . . . . 1.0 111.867 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -72.04 -20.98 24.68 Favored 'Trans proline' 0 CA--C 1.541 0.837 0 C-N-CA 122.697 2.264 . . . . 1.0 114.003 -178.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -75.78 -30.92 59.27 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 113.704 1.001 . . . . 1.0 113.704 -177.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 57.4 p -131.86 -17.12 2.84 Favored 'General case' 0 N--CA 1.483 1.183 0 N-CA-C 114.839 1.422 . . . . 1.0 114.839 -174.043 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 89.23 -2.13 83.22 Favored Glycine 0 CA--C 1.537 1.443 0 C-N-CA 124.763 1.173 . . . . 1.0 115.125 -179.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -60.73 149.24 36.09 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.677 1.591 . . . . 1.0 112.626 178.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 23.6 p -123.72 157.7 33.34 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 124.974 1.31 . . . . 1.0 113.089 -174.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 25.4 t90 -149.54 163.63 37.29 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.751 1.221 . . . . 1.0 110.862 171.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.1 m . . . . . 0 N--CA 1.481 1.105 0 N-CA-C 116.373 1.99 . . . . 1.0 116.373 -168.291 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 1.2 p90 . . . . . 0 CA--C 1.55 0.975 0 N-CA-C 113.765 1.024 . . . . 1.0 113.765 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 9.7 mt . . . . . 0 N--CA 1.473 0.682 0 O-C-N 120.826 -1.171 . . . . 1.0 111.284 169.567 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 56.8 tttp . . . . . 0 N--CA 1.478 0.957 0 N-CA-C 112.605 0.594 . . . . 1.0 112.605 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -138.93 146.45 41.05 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 125.1 1.36 . . . . 1.0 110.4 -176.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 50.8 ttt180 -145.07 121.98 11.31 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 124.752 1.221 . . . . 1.0 111.746 172.018 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -64.05 117.9 40.72 Favored Pre-proline 0 CA--C 1.546 0.812 0 C-N-CA 125.477 1.511 . . . . 1.0 111.277 175.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_endo -72.63 -20.35 23.35 Favored 'Trans proline' 0 CA--C 1.543 0.927 0 C-N-CA 122.663 2.242 . . . . 1.0 113.839 -179.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -74.06 -37.93 64.11 Favored 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 113.403 0.89 . . . . 1.0 113.403 -176.29 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 55.5 p -134.64 -10.63 2.41 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 114.874 1.435 . . . . 1.0 114.874 -173.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 94.56 0.24 64.89 Favored Glycine 0 CA--C 1.536 1.348 0 CA-C-O 118.482 -1.176 . . . . 1.0 115.646 172.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 47.9 mttp -57.58 147.52 26.86 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 125.298 1.439 . . . . 1.0 112.251 178.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 21.8 p -126.93 156.12 42.01 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 124.659 1.184 . . . . 1.0 113.187 -175.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 26.1 t90 -152.12 165.71 33.92 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.142 1.377 . . . . 1.0 111.179 171.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.6 m . . . . . 0 N--CA 1.482 1.152 0 N-CA-C 116.968 2.21 . . . . 1.0 116.968 -168.351 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.92 0 N-CA-C 114.408 1.262 . . . . 1.0 114.408 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 4.8 mt . . . . . 0 N--CA 1.47 0.543 0 O-C-N 120.842 -1.161 . . . . 1.0 110.039 169.567 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 82.4 tttt . . . . . 0 N--CA 1.479 1.02 0 N-CA-C 112.831 0.678 . . . . 1.0 112.831 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -139.71 151.62 46.02 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 125.024 1.329 . . . . 1.0 111.044 -176.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 57.2 ttm-85 -142.25 120.31 12.12 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.602 1.561 . . . . 1.0 111.032 170.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -64.06 118.9 50.59 Favored Pre-proline 0 CA--C 1.547 0.857 0 C-N-CA 125.266 1.426 . . . . 1.0 111.299 174.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -71.05 -21.21 27.85 Favored 'Trans proline' 0 CA--C 1.54 0.791 0 C-N-CA 122.406 2.071 . . . . 1.0 113.98 -178.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -74.88 -29.56 61.04 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 113.637 0.977 . . . . 1.0 113.637 -177.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 62.5 p -131.39 -17.61 2.95 Favored 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 115.044 1.498 . . . . 1.0 115.044 -175.104 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 87.89 -3.95 85.8 Favored Glycine 0 CA--C 1.537 1.416 0 C-N-CA 125.208 1.385 . . . . 1.0 114.827 -177.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -61.0 150.24 34.17 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 126.133 1.773 . . . . 1.0 112.409 177.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 31.5 p -124.26 161.7 25.26 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 124.683 1.193 . . . . 1.0 113.866 -172.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 22.1 t90 -147.44 166.24 27.81 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.246 1.418 . . . . 1.0 110.661 170.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 83.8 p . . . . . 0 N--CA 1.478 0.937 0 N-CA-C 117.783 2.512 . . . . 1.0 117.783 -168.513 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 3.7 p90 . . . . . 0 CA--C 1.544 0.719 0 N-CA-C 114.602 1.334 . . . . 1.0 114.602 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 7.6 mt . . . . . 0 N--CA 1.475 0.812 0 O-C-N 120.442 -1.411 . . . . 1.0 109.647 168.753 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 61.0 mttp . . . . . 0 N--CA 1.475 0.789 0 N-CA-C 112.942 0.719 . . . . 1.0 112.942 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -138.79 150.73 46.4 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 119.08 0.855 . . . . 1.0 111.988 -171.009 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 60.3 ttp180 -143.56 112.19 6.47 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.659 1.584 . . . . 1.0 110.528 174.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -63.41 118.52 44.68 Favored Pre-proline 0 CA--C 1.547 0.85 0 C-N-CA 125.036 1.335 . . . . 1.0 111.62 177.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -72.01 -20.07 25.85 Favored 'Trans proline' 0 CA--C 1.542 0.902 0 C-N-CA 122.555 2.17 . . . . 1.0 113.958 -175.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -79.1 -26.02 42.97 Favored 'General case' 0 CA--C 1.549 0.91 0 N-CA-C 113.764 1.024 . . . . 1.0 113.764 -178.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 71.8 p -134.33 -20.87 1.84 Allowed 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 115.195 1.554 . . . . 1.0 115.195 -173.128 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 86.48 0.03 86.68 Favored Glycine 0 CA--C 1.541 1.669 0 C-N-CA 124.64 1.114 . . . . 1.0 114.819 -175.068 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 57.8 mtmt -59.24 149.24 29.08 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-N 119.093 1.446 . . . . 1.0 111.97 174.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 36.5 p -132.27 159.34 39.37 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 124.31 1.044 . . . . 1.0 113.282 -174.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 23.3 t90 -151.07 160.76 43.7 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.149 0.979 . . . . 1.0 111.807 175.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 91.9 p . . . . . 0 N--CA 1.48 1.055 0 N-CA-C 115.912 1.819 . . . . 1.0 115.912 -169.416 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 1.8 p90 . . . . . 0 CA--C 1.548 0.875 0 N-CA-C 112.316 0.488 . . . . 1.0 112.316 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.9 tt . . . . . 0 CA--C 1.54 0.574 0 C-N-CA 124.548 1.139 . . . . 1.0 108.544 169.549 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 84.4 tttt . . . . . 0 N--CA 1.475 0.822 0 N-CA-C 112.24 0.459 . . . . 1.0 112.24 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -145.11 145.59 31.47 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.908 1.283 . . . . 1.0 110.268 -178.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 52.2 ttt180 -146.69 119.74 8.81 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.475 1.11 . . . . 1.0 111.797 173.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -64.51 118.43 47.45 Favored Pre-proline 0 CA--C 1.547 0.86 0 C-N-CA 124.963 1.305 . . . . 1.0 111.676 175.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_endo -72.86 -20.55 22.28 Favored 'Trans proline' 0 CA--C 1.539 0.773 0 C-N-CA 122.574 2.183 . . . . 1.0 113.973 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -74.57 -33.0 62.58 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 113.561 0.949 . . . . 1.0 113.561 -176.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 49.5 p -131.39 -14.89 3.27 Favored 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 114.762 1.393 . . . . 1.0 114.762 -175.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 91.69 -2.01 76.2 Favored Glycine 0 CA--C 1.537 1.419 0 C-N-CA 125.034 1.302 . . . . 1.0 115.328 177.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -59.59 147.21 37.99 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 125.625 1.57 . . . . 1.0 112.535 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 22.8 p -126.88 155.59 42.75 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 125.093 1.357 . . . . 1.0 113.167 -172.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 26.9 t90 -152.4 165.02 36.32 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.061 1.344 . . . . 1.0 110.907 172.517 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 91.4 p . . . . . 0 N--CA 1.48 1.044 0 N-CA-C 116.965 2.209 . . . . 1.0 116.965 -169.458 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.546 0.814 0 N-CA-C 114.487 1.291 . . . . 1.0 114.487 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 3.3 mt . . . . . 0 CA--C 1.543 0.704 0 C-N-CA 125.518 1.527 . . . . 1.0 113.498 170.064 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 23.8 ttmm . . . . . 0 N--CA 1.479 0.998 0 N-CA-C 112.38 0.511 . . . . 1.0 112.38 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -140.41 147.23 39.41 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.74 1.216 . . . . 1.0 110.284 179.069 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 60.7 ttp180 -144.5 110.34 5.36 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.499 1.12 . . . . 1.0 111.164 177.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -59.99 115.92 15.02 Favored Pre-proline 0 CA--C 1.546 0.802 0 C-N-CA 125.54 1.536 . . . . 1.0 111.732 177.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -71.37 -19.24 29.12 Favored 'Trans proline' 0 CA--C 1.541 0.868 0 C-N-CA 122.409 2.073 . . . . 1.0 113.677 -177.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -77.37 -33.4 55.23 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 113.717 1.006 . . . . 1.0 113.717 -177.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 48.7 p -134.92 -14.2 2.11 Favored 'General case' 0 N--CA 1.482 1.15 0 N-CA-C 115.383 1.623 . . . . 1.0 115.383 -172.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 88.4 2.25 80.03 Favored Glycine 0 CA--C 1.539 1.538 0 C-N-CA 124.445 1.021 . . . . 1.0 115.242 179.184 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -59.61 149.52 30.05 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 125.417 1.487 . . . . 1.0 112.052 175.06 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 37.5 p -135.86 159.91 40.22 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 113.976 1.102 . . . . 1.0 113.976 -175.14 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 22.8 t90 -150.88 164.63 35.84 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.543 1.537 . . . . 1.0 110.15 171.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 88.1 p . . . . . 0 N--CA 1.481 1.121 0 N-CA-C 117.873 2.546 . . . . 1.0 117.873 -169.051 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.549 0.931 0 N-CA-C 112.68 0.622 . . . . 1.0 112.68 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 3.0 tt . . . . . 0 CA--C 1.543 0.693 0 C-N-CA 124.965 1.306 . . . . 1.0 109.982 172.71 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 82.8 tttt . . . . . 0 N--CA 1.479 0.999 0 N-CA-C 112.629 0.603 . . . . 1.0 112.629 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 -140.63 148.03 40.26 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 124.744 1.218 . . . . 1.0 110.429 -179.368 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 51.2 ttt180 -144.52 118.82 9.56 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 123.697 0.799 . . . . 1.0 111.822 172.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -61.27 117.72 29.49 Favored Pre-proline 0 CA--C 1.546 0.8 0 C-N-CA 125.922 1.689 . . . . 1.0 111.848 178.176 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -72.3 -19.83 25.11 Favored 'Trans proline' 0 CA--C 1.542 0.875 0 C-N-CA 122.533 2.155 . . . . 1.0 113.877 -177.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -74.8 -38.36 62.11 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 113.593 0.96 . . . . 1.0 113.593 -177.226 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 56.2 p -136.44 -10.59 1.9 Allowed 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 115.216 1.561 . . . . 1.0 115.216 -173.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 94.4 1.66 64.22 Favored Glycine 0 CA--C 1.535 1.302 0 CA-C-O 118.64 -1.089 . . . . 1.0 115.788 172.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 48.9 mttp -57.95 149.24 23.45 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 125.561 1.545 . . . . 1.0 112.166 177.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 24.8 p -126.12 155.53 41.49 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 124.623 1.169 . . . . 1.0 113.632 -176.104 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 20.5 t90 -147.66 165.19 31.18 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.26 1.424 . . . . 1.0 110.498 170.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 90.9 p . . . . . 0 N--CA 1.485 1.279 0 N-CA-C 117.215 2.302 . . . . 1.0 117.215 -168.827 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 1.3 p90 . . . . . 0 CA--C 1.55 0.948 0 N-CA-C 112.778 0.658 . . . . 1.0 112.778 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 3.6 tt . . . . . 0 N--CA 1.471 0.619 0 C-N-CA 124.35 1.06 . . . . 1.0 108.566 169.615 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 83.8 tttt . . . . . 0 N--CA 1.476 0.829 0 N-CA-C 112.663 0.616 . . . . 1.0 112.663 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -135.1 148.22 49.75 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 125.149 1.38 . . . . 1.0 110.349 -177.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 51.3 ttt180 -145.61 117.02 7.98 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.14 0.976 . . . . 1.0 111.859 175.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -62.2 118.46 40.05 Favored Pre-proline 0 CA--C 1.549 0.906 0 C-N-CA 125.309 1.444 . . . . 1.0 111.926 178.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -71.18 -20.67 28.06 Favored 'Trans proline' 0 CA--C 1.539 0.774 0 C-N-CA 122.62 2.213 . . . . 1.0 113.976 -177.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -77.26 -31.36 54.89 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 113.736 1.013 . . . . 1.0 113.736 -177.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 51.6 p -132.63 -17.01 2.58 Favored 'General case' 0 N--CA 1.481 1.122 0 N-CA-C 115.205 1.557 . . . . 1.0 115.205 -173.002 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 88.65 -0.79 83.18 Favored Glycine 0 CA--C 1.538 1.477 0 C-N-CA 124.77 1.176 . . . . 1.0 115.124 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -59.31 149.35 29.13 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 125.746 1.619 . . . . 1.0 112.306 176.45 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 24.5 p -126.57 157.68 38.2 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 124.723 1.209 . . . . 1.0 113.518 -174.15 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 26.0 t90 -145.97 161.63 39.64 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.191 1.396 . . . . 1.0 110.309 170.004 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.6 m . . . . . 0 N--CA 1.481 1.105 0 N-CA-C 116.53 2.048 . . . . 1.0 116.53 -168.279 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.548 0.874 0 N-CA-C 113.266 0.839 . . . . 1.0 113.266 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 10.4 mt . . . . . 0 N--CA 1.474 0.732 0 O-C-N 120.772 -1.205 . . . . 1.0 110.563 169.467 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 56.6 tttp . . . . . 0 N--CA 1.478 0.935 0 N-CA-C 112.79 0.663 . . . . 1.0 112.79 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -139.37 144.64 38.27 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 125.122 1.369 . . . . 1.0 109.819 -177.22 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 52.7 ttt180 -145.21 121.76 11.07 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 124.542 1.137 . . . . 1.0 111.507 175.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -64.7 117.67 40.54 Favored Pre-proline 0 CA--C 1.546 0.809 0 C-N-CA 125.026 1.331 . . . . 1.0 111.683 175.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -71.59 -20.98 26.25 Favored 'Trans proline' 0 CA--C 1.544 0.977 0 C-N-CA 122.465 2.11 . . . . 1.0 113.726 -179.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -75.23 -34.13 61.4 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 113.799 1.037 . . . . 1.0 113.799 -176.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 46.1 p -132.63 -14.85 2.8 Favored 'General case' 0 N--CA 1.482 1.147 0 N-CA-C 114.733 1.383 . . . . 1.0 114.733 -174.122 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 92.08 -0.98 73.17 Favored Glycine 0 CA--C 1.537 1.468 0 C-N-CA 124.768 1.175 . . . . 1.0 115.537 177.159 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -58.87 148.8 28.8 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 125.634 1.574 . . . . 1.0 112.509 178.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 14.3 p -128.04 153.49 46.72 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 124.789 1.236 . . . . 1.0 113.412 -172.2 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 28.0 t90 -149.41 166.52 28.82 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.655 1.582 . . . . 1.0 110.596 173.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 87.5 p . . . . . 0 N--CA 1.481 1.104 0 N-CA-C 117.205 2.298 . . . . 1.0 117.205 -168.585 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.07 0 N-CA-C 113.355 0.872 . . . . 1.0 113.355 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 3.1 mt . . . . . 0 CA--C 1.539 0.557 0 C-N-CA 125.042 1.337 . . . . 1.0 110.163 169.436 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 58.1 mtpt . . . . . 0 N--CA 1.475 0.802 0 N-CA-C 112.683 0.623 . . . . 1.0 112.683 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -142.55 144.98 33.15 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.601 0.76 . . . . 1.0 111.23 -172.203 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 70.6 ttp85 -143.34 113.02 6.99 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 126.394 1.878 . . . . 1.0 110.251 174.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -64.49 108.79 2.15 Favored Pre-proline 0 CA--C 1.546 0.822 0 C-N-CA 125.799 1.639 . . . . 1.0 112.494 179.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -57.6 -26.99 75.07 Favored 'Trans proline' 0 CA--C 1.539 0.742 0 C-N-CA 122.739 2.293 . . . . 1.0 114.434 179.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -76.17 -19.11 58.74 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 114.431 1.271 . . . . 1.0 114.431 -176.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 68.9 p -141.16 -23.24 0.75 Allowed 'General case' 0 N--CA 1.483 1.22 0 N-CA-C 115.559 1.689 . . . . 1.0 115.559 -174.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 86.2 0.86 86.74 Favored Glycine 0 CA--C 1.538 1.512 0 C-N-CA 124.23 0.919 . . . . 1.0 114.648 -171.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -59.09 149.03 28.98 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 119.057 1.428 . . . . 1.0 111.466 172.197 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 27.0 p -133.78 157.99 44.49 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 124.261 1.024 . . . . 1.0 113.217 -174.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 23.5 t90 -152.63 162.94 40.56 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.595 1.158 . . . . 1.0 111.561 176.18 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 91.9 p . . . . . 0 N--CA 1.477 0.913 0 N-CA-C 115.948 1.833 . . . . 1.0 115.948 -169.582 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.475 0.778 0 N-CA-C 113.7 1.0 . . . . 1.0 113.7 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 4.2 mt . . . . . 0 CA--C 1.543 0.698 0 C-N-CA 125.594 1.558 . . . . 1.0 113.184 174.881 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 81.4 tttt . . . . . 0 N--CA 1.48 1.047 0 N-CA-C 112.851 0.685 . . . . 1.0 112.851 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -142.47 146.84 35.18 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 124.695 1.198 . . . . 1.0 110.715 -174.425 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 53.0 ttt180 -144.87 114.4 7.17 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.639 0.776 . . . . 1.0 112.618 171.426 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -56.66 118.13 21.06 Favored Pre-proline 0 CA--C 1.552 1.023 0 C-N-CA 126.106 1.762 . . . . 1.0 112.009 178.114 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -72.32 -21.08 23.57 Favored 'Trans proline' 0 CA--C 1.541 0.83 0 C-N-CA 122.638 2.225 . . . . 1.0 113.853 -178.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.56 -38.39 65.22 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 113.541 0.941 . . . . 1.0 113.541 -176.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 51.7 p -135.38 -10.75 2.18 Favored 'General case' 0 N--CA 1.482 1.152 0 N-CA-C 114.924 1.453 . . . . 1.0 114.924 -173.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 93.91 1.96 65.01 Favored Glycine 0 CA--C 1.537 1.413 0 CA-C-O 118.619 -1.101 . . . . 1.0 115.52 173.225 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 47.6 mttp -59.19 149.03 29.44 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 125.424 1.49 . . . . 1.0 112.23 178.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 24.5 p -125.15 155.93 39.16 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 124.755 1.222 . . . . 1.0 113.43 -176.477 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 22.2 t90 -150.03 164.16 36.24 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.735 1.214 . . . . 1.0 111.032 171.142 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 89.8 p . . . . . 0 N--CA 1.482 1.143 0 N-CA-C 117.249 2.314 . . . . 1.0 117.249 -168.666 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.549 0.905 0 CA-C-O 121.348 0.594 . . . . 1.0 111.837 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 8.4 tp . . . . . 0 CA--C 1.538 0.496 0 C-N-CA 124.727 1.211 . . . . 1.0 110.737 -175.03 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 30.9 mtpp . . . . . 0 N--CA 1.478 0.959 0 N-CA-C 113.144 0.794 . . . . 1.0 113.144 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 31.6 m-85 -140.19 147.61 40.35 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.826 1.25 . . . . 1.0 110.505 -175.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 61.2 ttp180 -145.57 115.5 7.37 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.753 1.621 . . . . 1.0 111.037 176.182 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -64.21 120.06 61.33 Favored Pre-proline 0 CA--C 1.549 0.929 0 C-N-CA 124.98 1.312 . . . . 1.0 111.504 176.019 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -72.22 -21.23 23.71 Favored 'Trans proline' 0 CA--C 1.541 0.875 0 C-N-CA 122.55 2.166 . . . . 1.0 114.232 -175.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -80.53 -27.41 37.63 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 113.626 0.973 . . . . 1.0 113.626 -177.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 69.5 p -132.98 -17.32 2.43 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 115.126 1.528 . . . . 1.0 115.126 -171.339 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 81.44 3.53 90.62 Favored Glycine 0 CA--C 1.538 1.528 0 C-N-CA 124.352 0.977 . . . . 1.0 114.932 -177.132 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -58.84 149.51 26.55 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 125.058 1.343 . . . . 1.0 111.447 172.028 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 33.4 p -133.3 160.94 35.84 Favored 'General case' 0 N--CA 1.481 1.086 0 N-CA-C 113.627 0.973 . . . . 1.0 113.627 -175.241 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 19.7 t90 -146.43 161.31 40.68 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.645 1.178 . . . . 1.0 110.794 170.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.9 m . . . . . 0 N--CA 1.482 1.138 0 N-CA-C 116.02 1.859 . . . . 1.0 116.02 -168.578 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 6.3 p90 . . . . . 0 CA--C 1.545 0.765 0 N-CA-C 114.434 1.272 . . . . 1.0 114.434 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 6.1 mt . . . . . 0 N--CA 1.472 0.674 0 O-C-N 120.488 -1.383 . . . . 1.0 108.974 168.454 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp . . . . . 0 N--CA 1.48 1.064 0 N-CA-C 113.037 0.754 . . . . 1.0 113.037 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -138.97 145.98 40.39 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.615 1.166 . . . . 1.0 109.967 -174.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 55.8 ttt180 -145.65 119.78 9.48 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 124.735 1.214 . . . . 1.0 111.038 176.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -64.54 117.16 35.0 Favored Pre-proline 0 CA--C 1.547 0.856 0 C-N-CA 124.829 1.252 . . . . 1.0 111.504 175.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -70.46 -20.0 32.09 Favored 'Trans proline' 0 CA--C 1.543 0.956 0 C-N-CA 122.639 2.226 . . . . 1.0 113.715 -179.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -75.34 -31.27 60.52 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 113.504 0.927 . . . . 1.0 113.504 -177.451 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 58.5 p -131.03 -17.36 3.1 Favored 'General case' 0 N--CA 1.482 1.135 0 N-CA-C 114.702 1.371 . . . . 1.0 114.702 -175.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 89.04 -2.01 83.56 Favored Glycine 0 CA--C 1.536 1.398 0 C-N-CA 125.174 1.368 . . . . 1.0 114.98 -178.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 59.5 mtpt -63.34 148.77 47.45 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 125.318 1.447 . . . . 1.0 112.415 178.678 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 24.0 p -122.32 159.61 27.06 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 125.053 1.341 . . . . 1.0 113.503 -171.481 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 30.9 t90 -150.71 164.17 36.78 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.516 1.527 . . . . 1.0 110.707 174.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 93.3 p . . . . . 0 N--CA 1.48 1.07 0 N-CA-C 115.976 1.843 . . . . 1.0 115.976 -168.864 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.002 0 N-CA-C 113.788 1.032 . . . . 1.0 113.788 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 4.4 mt . . . . . 0 CA--C 1.539 0.53 0 O-C-N 120.597 -1.315 . . . . 1.0 109.876 169.145 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 84.8 tttt . . . . . 0 N--CA 1.478 0.965 0 N-CA-C 112.212 0.449 . . . . 1.0 112.212 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -138.11 150.94 47.32 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 125.314 1.446 . . . . 1.0 112.199 -177.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 60.8 ttp180 -143.41 116.36 8.84 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 126.287 1.835 . . . . 1.0 110.056 169.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -64.09 117.77 39.64 Favored Pre-proline 0 CA--C 1.548 0.899 0 C-N-CA 125.246 1.418 . . . . 1.0 111.061 174.672 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -70.92 -20.34 29.49 Favored 'Trans proline' 0 CA--C 1.542 0.88 0 C-N-CA 122.471 2.114 . . . . 1.0 113.674 -177.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -75.92 -32.01 59.39 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 113.652 0.982 . . . . 1.0 113.652 -177.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 51.7 p -133.21 -16.15 2.47 Favored 'General case' 0 N--CA 1.482 1.153 0 N-CA-C 115.063 1.505 . . . . 1.0 115.063 -173.122 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 86.5 1.66 85.59 Favored Glycine 0 CA--C 1.538 1.479 0 C-N-CA 124.508 1.051 . . . . 1.0 115.024 -178.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -59.17 149.33 28.49 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 125.242 1.417 . . . . 1.0 111.761 173.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 33.8 p -132.27 158.68 41.21 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.391 1.076 . . . . 1.0 113.16 -174.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 34.1 t90 -152.24 162.93 40.41 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.947 1.299 . . . . 1.0 111.194 177.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.6 m . . . . . 0 N--CA 1.48 1.048 0 N-CA-C 116.065 1.876 . . . . 1.0 116.065 -168.754 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.476 0.85 0 N-CA-C 114.426 1.269 . . . . 1.0 114.426 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 7.0 mt . . . . . 0 CA--C 1.539 0.527 0 O-C-N 121.009 -1.057 . . . . 1.0 110.978 169.647 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 52.3 mtpt . . . . . 0 N--CA 1.477 0.92 0 N-CA-C 112.92 0.711 . . . . 1.0 112.92 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -141.01 143.05 34.2 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.055 0.942 . . . . 1.0 109.909 -174.122 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 53.0 ttt180 -145.77 119.09 8.95 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.427 1.091 . . . . 1.0 111.411 175.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -64.48 117.86 41.75 Favored Pre-proline 0 CA--C 1.546 0.814 0 C-N-CA 124.862 1.265 . . . . 1.0 111.486 174.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_endo -72.63 -19.87 23.93 Favored 'Trans proline' 0 CA--C 1.539 0.774 0 C-N-CA 122.505 2.137 . . . . 1.0 113.753 -178.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -75.08 -29.38 60.65 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.027 0.931 . . . . 1.0 113.481 -177.45 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 68.3 p -131.91 -20.53 2.5 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.979 1.312 . . . . 1.0 114.51 -175.157 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 91.78 -2.91 77.34 Favored Glycine 0 CA--C 1.537 1.461 0 C-N-CA 125.006 1.289 . . . . 1.0 115.03 -178.304 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 58.3 mtmt -61.35 148.77 40.32 Favored 'General case' 0 N--CA 1.482 1.135 0 CA-C-N 119.093 1.447 . . . . 1.0 112.495 178.504 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 23.5 p -126.7 158.14 37.23 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 125.184 1.394 . . . . 1.0 113.571 -170.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 28.7 t90 -150.59 164.38 36.17 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.307 1.443 . . . . 1.0 111.11 173.209 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 95.0 p . . . . . 0 N--CA 1.48 1.056 0 N-CA-C 116.604 2.075 . . . . 1.0 116.604 -169.26 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.94 0 N-CA-C 113.72 1.008 . . . . 1.0 113.72 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 3.0 mt . . . . . 0 CA--C 1.543 0.677 0 C-N-CA 125.001 1.32 . . . . 1.0 111.296 169.736 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 65.7 mttm . . . . . 0 N--CA 1.476 0.839 0 N-CA-C 113.112 0.782 . . . . 1.0 113.112 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -142.29 149.14 39.13 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 119.36 0.982 . . . . 1.0 111.524 -175.077 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 52.2 ttt180 -144.93 115.21 7.54 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.899 0.88 . . . . 1.0 112.106 171.307 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -62.26 117.8 33.81 Favored Pre-proline 0 CA--C 1.548 0.879 0 C-N-CA 125.547 1.539 . . . . 1.0 112.163 179.448 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -71.22 -20.5 28.13 Favored 'Trans proline' 0 CA--C 1.541 0.826 0 C-N-CA 122.625 2.217 . . . . 1.0 113.887 -178.529 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -76.71 -31.9 57.49 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 113.636 0.976 . . . . 1.0 113.636 -177.277 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 49.6 p -133.09 -16.26 2.5 Favored 'General case' 0 N--CA 1.481 1.084 0 N-CA-C 115.054 1.501 . . . . 1.0 115.054 -174.096 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 90.69 -2.48 80.24 Favored Glycine 0 CA--C 1.536 1.39 0 C-N-CA 124.807 1.194 . . . . 1.0 115.226 179.483 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -58.72 149.25 26.76 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 125.898 1.679 . . . . 1.0 112.42 177.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 24.6 p -125.97 156.81 39.22 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 124.843 1.257 . . . . 1.0 113.04 -175.509 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 14.5 t90 -148.24 160.17 43.22 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.376 1.07 . . . . 1.0 111.553 171.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.1 m . . . . . 0 N--CA 1.48 1.066 0 N-CA-C 116.101 1.889 . . . . 1.0 116.101 -168.431 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.549 0.924 0 N-CA-C 112.535 0.568 . . . . 1.0 112.535 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.8 tt . . . . . 0 CA--C 1.542 0.662 0 C-N-CA 124.761 1.224 . . . . 1.0 109.554 170.027 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 58.2 tttp . . . . . 0 N--CA 1.477 0.922 0 N-CA-C 112.226 0.454 . . . . 1.0 112.226 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -139.41 148.46 42.83 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 125.389 1.476 . . . . 1.0 110.422 -176.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 60.3 ttp180 -144.85 116.17 8.01 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.858 1.663 . . . . 1.0 111.041 175.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -64.05 120.34 63.27 Favored Pre-proline 0 CA--C 1.549 0.928 0 C-N-CA 124.99 1.316 . . . . 1.0 111.518 176.38 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -71.81 -22.07 24.08 Favored 'Trans proline' 0 CA--C 1.542 0.896 0 C-N-CA 122.655 2.237 . . . . 1.0 114.246 -176.432 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -78.11 -28.29 48.54 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 113.827 1.047 . . . . 1.0 113.827 -177.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 68.8 p -132.56 -17.47 2.56 Favored 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 115.115 1.524 . . . . 1.0 115.115 -171.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 82.0 3.41 90.59 Favored Glycine 0 CA--C 1.54 1.594 0 C-N-CA 124.279 0.942 . . . . 1.0 114.759 -176.487 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -59.69 149.53 30.4 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-N 118.953 1.377 . . . . 1.0 111.391 173.014 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 33.2 p -132.55 158.83 41.16 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 124.219 1.008 . . . . 1.0 113.588 -174.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 23.2 t90 -147.94 165.55 30.35 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.151 1.38 . . . . 1.0 110.166 173.284 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 80.1 p . . . . . 0 N--CA 1.482 1.158 0 N-CA-C 117.242 2.312 . . . . 1.0 117.242 -168.444 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 4.6 p90 . . . . . 0 N--CA 1.474 0.775 0 N-CA-C 114.536 1.31 . . . . 1.0 114.536 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 5.8 mt . . . . . 0 N--CA 1.471 0.597 0 O-C-N 120.563 -1.336 . . . . 1.0 110.293 169.052 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 67.0 mttm . . . . . 0 N--CA 1.477 0.909 0 N-CA-C 112.875 0.694 . . . . 1.0 112.875 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -135.38 149.45 49.67 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.771 1.228 . . . . 1.0 110.953 -175.178 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 53.4 ttt180 -146.15 116.74 7.58 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.418 1.087 . . . . 1.0 111.892 173.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -64.03 119.97 59.96 Favored Pre-proline 0 CA--C 1.548 0.888 0 C-N-CA 125.5 1.52 . . . . 1.0 111.855 178.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -72.2 -22.29 22.49 Favored 'Trans proline' 0 CA--C 1.542 0.889 0 C-N-CA 122.696 2.264 . . . . 1.0 114.04 -178.108 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -75.53 -30.61 59.82 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 113.812 1.041 . . . . 1.0 113.812 -177.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 55.1 p -132.36 -16.29 2.75 Favored 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 114.812 1.412 . . . . 1.0 114.812 -173.491 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 88.09 -2.09 85.2 Favored Glycine 0 CA--C 1.537 1.441 0 C-N-CA 124.818 1.199 . . . . 1.0 115.022 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -59.8 148.79 33.24 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 125.597 1.559 . . . . 1.0 112.296 178.109 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 24.4 p -124.65 158.8 32.26 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 125.085 1.354 . . . . 1.0 113.125 -174.335 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 17.0 t90 -147.57 159.8 43.35 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.654 1.182 . . . . 1.0 111.495 170.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 78.0 p . . . . . 0 N--CA 1.479 1.008 0 N-CA-C 117.003 2.224 . . . . 1.0 117.003 -168.736 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 2.2 p90 . . . . . 0 N--CA 1.475 0.796 0 N-CA-C 113.944 1.091 . . . . 1.0 113.944 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 7.1 mt . . . . . 0 N--CA 1.472 0.675 0 O-C-N 120.787 -1.195 . . . . 1.0 109.47 169.052 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 64.9 mttm . . . . . 0 N--CA 1.475 0.818 0 N-CA-C 113.036 0.754 . . . . 1.0 113.036 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -138.0 145.43 41.89 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 123.899 0.879 . . . . 1.0 110.791 -173.117 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 66.4 ttt-85 -143.75 115.23 8.08 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.748 1.219 . . . . 1.0 111.701 174.587 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -63.96 118.49 46.29 Favored Pre-proline 0 CA--C 1.549 0.941 0 C-N-CA 125.237 1.415 . . . . 1.0 111.58 177.215 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_endo -71.02 -21.35 27.77 Favored 'Trans proline' 0 CA--C 1.541 0.837 0 C-N-CA 122.572 2.181 . . . . 1.0 114.029 -179.116 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -75.46 -31.21 60.19 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 113.7 1.0 . . . . 1.0 113.7 -177.392 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 63.4 p -133.33 -16.25 2.43 Favored 'General case' 0 N--CA 1.481 1.099 0 N-CA-C 114.876 1.436 . . . . 1.0 114.876 -173.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 87.19 0.23 85.27 Favored Glycine 0 CA--C 1.537 1.435 0 C-N-CA 124.492 1.044 . . . . 1.0 115.177 -178.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -58.88 149.21 27.55 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 125.338 1.455 . . . . 1.0 112.188 175.345 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 31.2 p -130.94 158.61 39.77 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.503 1.121 . . . . 1.0 113.564 -174.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 21.4 t90 -148.31 164.24 34.64 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.964 1.306 . . . . 1.0 110.795 173.209 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 85.0 p . . . . . 0 N--CA 1.48 1.035 0 N-CA-C 116.65 2.093 . . . . 1.0 116.65 -168.646 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.48 1.038 0 N-CA-C 114.561 1.319 . . . . 1.0 114.561 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 5.5 mt . . . . . 0 N--CA 1.472 0.658 0 O-C-N 120.833 -1.167 . . . . 1.0 110.422 169.4 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 30.8 mtpp . . . . . 0 N--CA 1.479 1.011 0 N-CA-C 112.884 0.698 . . . . 1.0 112.884 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 76.9 m-85 -139.22 147.67 42.06 Favored 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 124.67 1.188 . . . . 1.0 111.638 -177.48 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 51.4 ttt180 -144.37 118.26 9.35 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 125.087 1.355 . . . . 1.0 111.299 169.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -63.57 119.12 51.01 Favored Pre-proline 0 CA--C 1.548 0.903 0 C-N-CA 125.347 1.459 . . . . 1.0 111.303 176.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -70.48 -20.9 30.84 Favored 'Trans proline' 0 CA--C 1.542 0.878 0 C-N-CA 122.456 2.104 . . . . 1.0 113.972 -179.357 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -76.16 -32.58 59.15 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 113.751 1.019 . . . . 1.0 113.751 -177.024 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 52.3 p -131.95 -15.32 3.01 Favored 'General case' 0 N--CA 1.483 1.214 0 N-CA-C 114.879 1.437 . . . . 1.0 114.879 -174.072 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 87.06 -0.77 86.3 Favored Glycine 0 CA--C 1.536 1.403 0 C-N-CA 124.744 1.164 . . . . 1.0 115.177 -179.322 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -60.2 149.45 32.99 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 125.832 1.653 . . . . 1.0 112.118 176.515 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 25.1 p -125.72 159.44 32.3 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 124.706 1.202 . . . . 1.0 113.573 -173.258 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 31.5 t90 -150.32 163.5 38.16 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.842 1.257 . . . . 1.0 111.289 172.256 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.7 m . . . . . 0 N--CA 1.48 1.055 0 N-CA-C 115.995 1.85 . . . . 1.0 115.995 -168.4 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.474 0.747 0 N-CA-C 114.93 1.456 . . . . 1.0 114.93 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 9.0 mt . . . . . 0 CA--C 1.539 0.555 0 CA-C-N 119.802 1.183 . . . . 1.0 111.542 169.733 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 28.1 ttt . . . . . 0 N--CA 1.494 1.765 0 N-CA-C 110.474 -0.195 . . . . 1.0 110.474 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 77.3 p -136.42 1.02 2.59 Favored 'General case' 0 N--CA 1.483 1.178 0 N-CA-C 114.758 1.392 . . . . 1.0 114.758 -174.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 46.9 p -139.32 165.88 26.02 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 125.97 1.708 . . . . 1.0 111.543 -179.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.1 p -143.98 143.34 22.51 Favored Pre-proline 0 N--CA 1.48 1.048 0 C-N-CA 124.924 1.29 . . . . 1.0 110.818 179.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_exo -47.54 151.62 3.08 Favored 'Trans proline' 0 CA--C 1.539 0.767 0 C-N-CA 124.379 3.386 . . . . 1.0 115.477 174.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 55.3 tttp -127.24 -30.88 2.61 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 126.169 1.787 . . . . 1.0 112.983 179.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 -137.68 150.71 47.57 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.735 1.214 . . . . 1.0 111.139 -177.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 56.6 ttt180 -145.11 116.21 7.89 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.531 1.132 . . . . 1.0 112.075 174.295 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -63.78 119.09 51.44 Favored Pre-proline 0 CA--C 1.549 0.913 0 C-N-CA 125.664 1.586 . . . . 1.0 111.867 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -72.04 -20.98 24.68 Favored 'Trans proline' 0 CA--C 1.541 0.837 0 C-N-CA 122.697 2.264 . . . . 1.0 114.003 -178.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -75.78 -30.92 59.27 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 113.704 1.001 . . . . 1.0 113.704 -177.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 57.4 p -131.86 -17.12 2.84 Favored 'General case' 0 N--CA 1.483 1.183 0 N-CA-C 114.839 1.422 . . . . 1.0 114.839 -174.043 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 89.23 -2.13 83.22 Favored Glycine 0 CA--C 1.537 1.443 0 C-N-CA 124.763 1.173 . . . . 1.0 115.125 -179.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -60.73 149.24 36.09 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.677 1.591 . . . . 1.0 112.626 178.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 23.6 p -123.72 157.7 33.34 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 124.974 1.31 . . . . 1.0 113.089 -174.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 25.4 t90 -149.54 163.63 37.29 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.751 1.221 . . . . 1.0 110.862 171.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.1 m -129.82 14.73 5.86 Favored 'General case' 0 N--CA 1.481 1.105 0 N-CA-C 116.373 1.99 . . . . 1.0 116.373 -168.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 79.57 13.28 82.72 Favored Glycine 0 CA--C 1.539 1.593 0 O-C-N 121.252 -0.905 . . . . 1.0 114.822 177.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -135.66 154.74 51.2 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 125.967 1.707 . . . . 1.0 111.737 -175.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 65.77 -166.54 35.5 Favored Glycine 0 CA--C 1.539 1.588 0 C-N-CA 123.403 0.525 . . . . 1.0 113.355 -173.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 26.4 tpt180 -58.61 127.51 32.55 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.075 0.95 . . . . 1.0 111.539 175.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -69.03 136.27 89.52 Favored Pre-proline 0 CA--C 1.555 1.154 0 C-N-CA 124.543 1.137 . . . . 1.0 111.554 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -60.36 157.65 34.83 Favored 'Trans proline' 0 CA--C 1.539 0.756 0 C-N-CA 123.673 2.916 . . . . 1.0 114.396 173.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -65.7 -42.04 91.62 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 113.212 0.819 . . . . 1.0 113.212 175.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 64.7 p-90 -63.2 -24.51 67.91 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 113.729 1.011 . . . . 1.0 113.729 177.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.27 -28.53 69.79 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 124.467 1.107 . . . . 1.0 112.886 174.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -81.17 45.44 3.21 Favored Glycine 0 CA--C 1.537 1.444 0 C-N-CA 125.882 1.706 . . . . 1.0 115.401 -169.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -142.64 -59.56 0.44 Allowed 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 118.256 1.028 . . . . 1.0 112.956 178.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -155.86 81.91 3.75 Favored Pre-proline 0 CA--C 1.545 0.78 0 C-N-CA 124.042 0.937 . . . . 1.0 111.32 -179.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_exo -46.2 -33.84 12.54 Favored 'Trans proline' 0 CA--C 1.538 0.685 0 C-N-CA 124.577 3.518 . . . . 1.0 116.696 -174.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.64 -24.14 67.49 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 114.559 1.318 . . . . 1.0 114.559 178.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.17 -26.12 65.59 Favored 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 114.548 1.314 . . . . 1.0 114.548 -174.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -135.28 17.49 3.41 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 124.94 1.296 . . . . 1.0 113.765 -170.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 9.7 mt -61.4 140.8 57.97 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 120.826 -1.171 . . . . 1.0 111.284 169.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 95.6 mt -79.63 135.64 25.18 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.599 0 N-CA-C 108.181 -1.044 . . . . 1.0 108.181 169.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -133.63 154.9 80.89 Favored Pre-proline 0 CA--C 1.547 0.852 0 C-N-CA 125.282 1.433 . . . . 1.0 112.128 -175.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_endo -75.93 64.95 6.88 Favored 'Trans proline' 0 CA--C 1.546 1.12 0 C-N-CA 124.656 3.571 . . . . 1.0 112.476 178.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -55.64 -24.6 34.62 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 125.768 1.627 . . . . 1.0 114.414 176.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 87.8 mt -133.76 155.66 80.18 Favored Pre-proline 0 CA--C 1.549 0.93 0 C-N-CA 127.503 2.321 . . . . 1.0 110.254 170.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -53.18 145.31 43.98 Favored 'Trans proline' 0 C--N 1.353 0.793 0 C-N-CA 123.789 2.993 . . . . 1.0 114.495 179.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -78.64 31.47 0.19 Allowed 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 124.686 1.194 . . . . 1.0 114.213 175.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 17.9 pt -141.72 54.19 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 127.656 2.382 . . . . 1.0 110.341 -176.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 57.8 tp -148.39 144.23 27.35 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 126.461 1.904 . . . . 1.0 110.994 -170.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 . . . . . 0 C--O 1.254 1.307 0 C-N-CA 126.055 1.742 . . . . 1.0 112.264 179.546 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 62.1 ttp . . . . . 0 N--CA 1.494 1.771 0 N-CA-C 110.588 -0.153 . . . . 1.0 110.588 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 79.5 p -151.62 167.83 26.89 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 125.034 1.334 . . . . 1.0 112.346 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 14.3 t -143.5 165.57 27.2 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.986 1.314 . . . . 1.0 112.006 176.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 16.2 m -140.59 153.88 68.62 Favored Pre-proline 0 N--CA 1.479 1.01 0 C-N-CA 126.223 1.809 . . . . 1.0 112.041 -176.07 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -66.58 165.6 24.73 Favored 'Trans proline' 0 CA--C 1.539 0.756 0 C-N-CA 122.927 2.418 . . . . 1.0 113.302 173.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 56.8 tttp -111.9 -25.86 9.21 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 126.285 1.834 . . . . 1.0 112.605 177.206 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -138.93 146.45 41.05 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 125.1 1.36 . . . . 1.0 110.4 -176.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 50.8 ttt180 -145.07 121.98 11.31 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 124.752 1.221 . . . . 1.0 111.746 172.018 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -64.05 117.9 40.72 Favored Pre-proline 0 CA--C 1.546 0.812 0 C-N-CA 125.477 1.511 . . . . 1.0 111.277 175.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_endo -72.63 -20.35 23.35 Favored 'Trans proline' 0 CA--C 1.543 0.927 0 C-N-CA 122.663 2.242 . . . . 1.0 113.839 -179.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -74.06 -37.93 64.11 Favored 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 113.403 0.89 . . . . 1.0 113.403 -176.29 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 55.5 p -134.64 -10.63 2.41 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 114.874 1.435 . . . . 1.0 114.874 -173.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 94.56 0.24 64.89 Favored Glycine 0 CA--C 1.536 1.348 0 CA-C-O 118.482 -1.176 . . . . 1.0 115.646 172.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 47.9 mttp -57.58 147.52 26.86 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 125.298 1.439 . . . . 1.0 112.251 178.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 21.8 p -126.93 156.12 42.01 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 124.659 1.184 . . . . 1.0 113.187 -175.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 26.1 t90 -152.12 165.71 33.92 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.142 1.377 . . . . 1.0 111.179 171.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.6 m -133.84 13.8 3.99 Favored 'General case' 0 N--CA 1.482 1.152 0 N-CA-C 116.968 2.21 . . . . 1.0 116.968 -168.351 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 87.05 13.46 66.3 Favored Glycine 0 CA--C 1.539 1.582 0 CA-C-N 119.331 0.969 . . . . 1.0 115.28 175.038 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 63.5 ttm-85 -135.61 143.67 45.71 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 125.725 1.61 . . . . 1.0 111.294 -177.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 75.86 -167.42 54.7 Favored Glycine 0 CA--C 1.537 1.407 0 C-N-CA 123.435 0.541 . . . . 1.0 112.813 -171.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 82.1 mtp180 -62.78 130.68 45.97 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.765 0.826 . . . . 1.0 111.454 177.098 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -65.15 136.26 96.54 Favored Pre-proline 0 CA--C 1.551 1.017 0 C-N-CA 124.176 0.99 . . . . 1.0 111.202 176.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -71.23 155.2 61.18 Favored 'Trans proline' 0 CA--C 1.542 0.915 0 C-N-CA 123.051 2.501 . . . . 1.0 112.794 178.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.96 -39.77 95.67 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 114.244 1.201 . . . . 1.0 114.244 -173.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 32.2 p-90 -62.65 -31.88 72.83 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 113.572 0.953 . . . . 1.0 113.572 -179.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 33.9 tp -73.77 -21.28 60.23 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.94 1.296 . . . . 1.0 113.804 -178.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -76.83 45.78 2.25 Favored Glycine 0 CA--C 1.538 1.502 0 C-N-CA 125.466 1.508 . . . . 1.0 116.335 -170.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -146.26 -54.15 0.26 Allowed 'General case' 0 CA--C 1.549 0.907 0 CA-C-N 118.515 1.158 . . . . 1.0 113.869 177.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -155.71 79.81 4.2 Favored Pre-proline 0 CA--C 1.548 0.88 0 C-N-CA 124.105 0.962 . . . . 1.0 111.587 -177.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -42.83 -35.6 4.47 Favored 'Trans proline' 0 C--N 1.355 0.893 1 C-N-CA 125.361 4.041 . . . . 1.0 117.223 -171.317 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -57.69 -23.52 52.04 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 114.83 1.418 . . . . 1.0 114.83 179.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.36 -21.31 63.82 Favored 'General case' 0 CA--C 1.548 0.875 0 N-CA-C 114.311 1.226 . . . . 1.0 114.311 177.013 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -138.6 -7.46 1.48 Allowed 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.914 1.285 . . . . 1.0 114.408 -173.238 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 4.8 mt -56.95 129.16 40.41 Favored 'General case' 0 N--CA 1.47 0.543 0 O-C-N 120.842 -1.161 . . . . 1.0 110.039 169.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 93.9 mt -71.48 127.96 34.03 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 N-CA-C 108.852 -0.795 . . . . 1.0 108.852 175.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -137.36 151.09 70.72 Favored Pre-proline 0 CA--C 1.547 0.844 0 C-N-CA 125.541 1.536 . . . . 1.0 110.456 -170.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -77.65 -10.23 17.14 Favored 'Trans proline' 0 CA--C 1.542 0.893 0 C-N-CA 123.093 2.528 . . . . 1.0 114.714 -175.038 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 22.8 t70 46.25 29.65 0.87 Allowed 'General case' 0 CA--C 1.554 1.117 0 C-N-CA 126.654 1.982 . . . . 1.0 114.862 -171.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 69.1 mt -141.66 161.44 51.98 Favored Pre-proline 0 CA--C 1.548 0.894 0 C-N-CA 126.917 2.087 . . . . 1.0 111.318 -176.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -52.48 158.03 6.25 Favored 'Trans proline' 0 C--N 1.352 0.754 0 C-N-CA 123.902 3.068 . . . . 1.0 114.353 169.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -74.43 35.27 0.1 Allowed 'General case' 0 CA--C 1.554 1.115 0 C-N-CA 125.904 1.682 . . . . 1.0 114.851 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 33.0 mm -135.35 76.86 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 128.612 2.765 . . . . 1.0 106.891 -178.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 16.5 tp -138.6 4.54 2.37 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 124.724 1.21 . . . . 1.0 114.034 -169.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 . . . . . 0 C--O 1.253 1.274 0 C-N-CA 126.564 1.946 . . . . 1.0 112.566 -177.779 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 99.2 mmm . . . . . 0 N--CA 1.497 1.884 0 N-CA-C 110.797 -0.075 . . . . 1.0 110.797 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 58.0 p -73.11 -18.94 61.24 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 114.571 1.323 . . . . 1.0 114.571 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 65.4 p -136.6 164.34 28.44 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 125.978 1.711 . . . . 1.0 111.956 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 15.9 m -140.31 154.44 69.79 Favored Pre-proline 0 N--CA 1.481 1.078 0 C-N-CA 125.716 1.606 . . . . 1.0 111.032 -178.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -68.87 164.06 35.0 Favored 'Trans proline' 0 CA--C 1.54 0.778 0 C-N-CA 122.918 2.412 . . . . 1.0 112.866 176.005 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -130.37 -26.18 2.34 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 126.973 2.109 . . . . 1.0 112.831 -178.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -139.71 151.62 46.02 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 125.024 1.329 . . . . 1.0 111.044 -176.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 57.2 ttm-85 -142.25 120.31 12.12 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.602 1.561 . . . . 1.0 111.032 170.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -64.06 118.9 50.59 Favored Pre-proline 0 CA--C 1.547 0.857 0 C-N-CA 125.266 1.426 . . . . 1.0 111.299 174.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -71.05 -21.21 27.85 Favored 'Trans proline' 0 CA--C 1.54 0.791 0 C-N-CA 122.406 2.071 . . . . 1.0 113.98 -178.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -74.88 -29.56 61.04 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 113.637 0.977 . . . . 1.0 113.637 -177.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 62.5 p -131.39 -17.61 2.95 Favored 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 115.044 1.498 . . . . 1.0 115.044 -175.104 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 87.89 -3.95 85.8 Favored Glycine 0 CA--C 1.537 1.416 0 C-N-CA 125.208 1.385 . . . . 1.0 114.827 -177.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -61.0 150.24 34.17 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 126.133 1.773 . . . . 1.0 112.409 177.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 31.5 p -124.26 161.7 25.26 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 124.683 1.193 . . . . 1.0 113.866 -172.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 22.1 t90 -147.44 166.24 27.81 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.246 1.418 . . . . 1.0 110.661 170.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 83.8 p -131.77 1.46 4.0 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 117.783 2.512 . . . . 1.0 117.783 -168.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 93.69 9.96 59.46 Favored Glycine 0 CA--C 1.538 1.487 0 CA-C-N 119.684 1.129 . . . . 1.0 115.033 -177.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 77.1 ttt-85 -135.17 146.67 48.96 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 125.817 1.647 . . . . 1.0 111.648 -176.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 77.88 -170.95 55.11 Favored Glycine 0 CA--C 1.537 1.457 0 C-N-CA 123.847 0.737 . . . . 1.0 113.482 -173.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -59.84 139.56 57.24 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 124.025 0.93 . . . . 1.0 112.066 178.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 -65.11 129.94 94.65 Favored Pre-proline 0 CA--C 1.551 1.013 0 C-N-CA 124.345 1.058 . . . . 1.0 111.516 -178.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_exo -59.25 146.6 94.11 Favored 'Trans proline' 0 C--N 1.352 0.744 0 C-N-CA 123.426 2.75 . . . . 1.0 113.317 172.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.74 -37.93 86.09 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 113.312 0.856 . . . . 1.0 113.312 179.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 55.2 p-90 -68.48 -18.92 64.5 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 114.029 1.122 . . . . 1.0 114.029 176.283 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.2 tp -70.89 -20.43 62.51 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 113.579 0.955 . . . . 1.0 113.579 -178.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -82.13 47.91 3.81 Favored Glycine 0 CA--C 1.535 1.291 0 C-N-CA 125.625 1.583 . . . . 1.0 115.61 -170.075 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -144.46 -62.89 0.37 Allowed 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 118.668 1.234 . . . . 1.0 113.336 177.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -158.55 89.72 2.18 Favored Pre-proline 0 CA--C 1.546 0.791 0 C-N-CA 124.142 0.977 . . . . 1.0 111.324 -176.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.506 ' HA ' ' CE1' ' A' ' 103' ' ' PHE . 69.7 Cg_exo -42.21 -39.44 6.1 Favored 'Trans proline' 0 C--N 1.352 0.742 0 C-N-CA 124.936 3.758 . . . . 1.0 116.683 -176.522 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.25 -20.7 66.23 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 114.812 1.412 . . . . 1.0 114.812 -178.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.76 -22.8 63.32 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 113.835 1.05 . . . . 1.0 113.835 176.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.506 ' CE1' ' HA ' ' A' ' 100' ' ' PRO . 3.7 p90 -136.36 -1.62 2.32 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 114.602 1.334 . . . . 1.0 114.602 -174.635 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 7.6 mt -58.41 136.77 57.53 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 120.442 -1.411 . . . . 1.0 109.647 168.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 81.8 mt -67.16 122.02 17.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 N-CA-C 108.429 -0.952 . . . . 1.0 108.429 171.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -145.38 152.1 49.17 Favored Pre-proline 0 CA--C 1.547 0.834 0 C-N-CA 125.874 1.67 . . . . 1.0 110.834 -171.085 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -67.93 138.07 43.23 Favored 'Trans proline' 0 CA--C 1.541 0.846 0 C-N-CA 122.42 2.08 . . . . 1.0 111.924 -176.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -55.22 -27.41 45.92 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 114.976 1.473 . . . . 1.0 114.976 -178.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 7.8 tt -140.5 135.79 16.15 Favored Pre-proline 0 CA--C 1.545 0.778 0 C-N-CA 127.501 2.321 . . . . 1.0 108.233 173.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -73.24 74.55 3.04 Favored 'Trans proline' 0 CA--C 1.541 0.872 0 C-N-CA 124.186 3.257 . . . . 1.0 113.422 -176.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -143.95 39.19 1.34 Allowed 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 126.643 1.977 . . . . 1.0 111.83 -178.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . 0.287 9.8 tp 33.43 60.12 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 C-N-CA 128.263 2.625 . . . . 1.0 114.166 -176.42 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 86.3 mt -68.8 -26.93 65.44 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 114.25 -1.341 . . . . 1.0 114.119 -172.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 . . . . . 0 C--O 1.254 1.29 0 C-N-CA 126.172 1.789 . . . . 1.0 113.632 -178.187 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 27.9 ttt . . . . . 0 N--CA 1.493 1.707 0 N-CA-C 110.673 -0.121 . . . . 1.0 110.673 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 79.3 p -149.87 169.19 21.7 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.327 1.451 . . . . 1.0 112.235 -179.339 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 13.7 t -143.67 165.43 27.65 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 125.004 1.322 . . . . 1.0 112.114 177.468 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 8.9 p -146.0 142.03 17.3 Favored Pre-proline 0 N--CA 1.477 0.908 0 C-N-CA 126.13 1.772 . . . . 1.0 111.059 -178.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -63.78 160.59 36.13 Favored 'Trans proline' 0 CA--C 1.538 0.699 0 C-N-CA 123.578 2.852 . . . . 1.0 113.7 175.17 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -92.44 -30.52 15.7 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.741 1.616 . . . . 1.0 112.942 173.246 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -138.79 150.73 46.4 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 119.08 0.855 . . . . 1.0 111.988 -171.009 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 60.3 ttp180 -143.56 112.19 6.47 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.659 1.584 . . . . 1.0 110.528 174.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -63.41 118.52 44.68 Favored Pre-proline 0 CA--C 1.547 0.85 0 C-N-CA 125.036 1.335 . . . . 1.0 111.62 177.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -72.01 -20.07 25.85 Favored 'Trans proline' 0 CA--C 1.542 0.902 0 C-N-CA 122.555 2.17 . . . . 1.0 113.958 -175.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -79.1 -26.02 42.97 Favored 'General case' 0 CA--C 1.549 0.91 0 N-CA-C 113.764 1.024 . . . . 1.0 113.764 -178.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 71.8 p -134.33 -20.87 1.84 Allowed 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 115.195 1.554 . . . . 1.0 115.195 -173.128 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 86.48 0.03 86.68 Favored Glycine 0 CA--C 1.541 1.669 0 C-N-CA 124.64 1.114 . . . . 1.0 114.819 -175.068 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 57.8 mtmt -59.24 149.24 29.08 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-N 119.093 1.446 . . . . 1.0 111.97 174.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 36.5 p -132.27 159.34 39.37 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 124.31 1.044 . . . . 1.0 113.282 -174.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 23.3 t90 -151.07 160.76 43.7 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.149 0.979 . . . . 1.0 111.807 175.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 91.9 p -139.54 -8.57 1.26 Allowed 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 115.912 1.819 . . . . 1.0 115.912 -169.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 117.63 -21.95 10.3 Favored Glycine 0 CA--C 1.538 1.482 0 C-N-CA 124.272 0.939 . . . . 1.0 113.819 -175.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 84.0 mtp180 -72.13 149.3 44.86 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.718 1.207 . . . . 1.0 112.066 178.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 61.33 -166.01 15.79 Favored Glycine 0 CA--C 1.542 1.724 0 C-N-CA 124.206 0.907 . . . . 1.0 114.469 179.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -66.31 141.54 57.96 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.715 0.806 . . . . 1.0 111.251 172.111 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -64.1 134.12 95.84 Favored Pre-proline 0 CA--C 1.555 1.162 0 C-N-CA 123.856 0.863 . . . . 1.0 111.744 178.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_exo -59.3 157.83 29.04 Favored 'Trans proline' 0 CA--C 1.541 0.832 0 C-N-CA 123.573 2.849 . . . . 1.0 114.976 175.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -66.67 -39.54 88.21 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 113.475 0.917 . . . . 1.0 113.475 177.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 61.9 p-90 -64.1 -31.38 72.55 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.607 0.763 . . . . 1.0 113.042 177.072 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.74 -34.95 71.95 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.489 1.516 . . . . 1.0 113.229 176.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -78.32 46.72 2.81 Favored Glycine 0 CA--C 1.539 1.55 0 C-N-CA 125.895 1.712 . . . . 1.0 115.059 -173.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -135.5 -64.02 0.65 Allowed 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.663 1.185 . . . . 1.0 111.595 -178.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -157.56 79.81 3.38 Favored Pre-proline 0 CA--C 1.547 0.837 0 C-N-CA 125.173 1.389 . . . . 1.0 109.704 175.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -43.84 -41.63 11.9 Favored 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 124.643 3.562 . . . . 1.0 116.59 -169.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.91 -22.9 67.08 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 114.598 1.333 . . . . 1.0 114.598 -178.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.2 -25.86 67.12 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 113.873 1.064 . . . . 1.0 113.873 -177.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 1.8 p90 -131.91 14.4 4.79 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.582 1.553 . . . . 1.0 112.316 -177.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.9 tt -71.22 128.9 37.47 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.548 1.139 . . . . 1.0 108.544 169.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 70.3 mt -66.21 120.13 12.71 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.599 0 C-N-CA 124.646 1.178 . . . . 1.0 109.676 -178.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -139.28 162.85 49.56 Favored Pre-proline 0 CA--C 1.55 0.97 0 C-N-CA 125.558 1.543 . . . . 1.0 111.373 -170.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -61.02 -15.6 40.21 Favored 'Trans proline' 0 CA--C 1.542 0.88 0 C-N-CA 123.889 3.059 . . . . 1.0 117.004 -179.133 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 23.5 t70 49.66 24.69 1.25 Allowed 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 126.718 2.007 . . . . 1.0 114.563 -170.012 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 80.5 mt -142.15 159.33 59.06 Favored Pre-proline 0 CA--C 1.549 0.922 0 C-N-CA 127.467 2.307 . . . . 1.0 110.57 -179.087 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -52.63 145.98 36.25 Favored 'Trans proline' 0 CA--C 1.54 0.789 0 C-N-CA 123.734 2.956 . . . . 1.0 113.995 171.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -140.53 31.81 1.87 Allowed 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.736 1.214 . . . . 1.0 112.825 177.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 32.6 mm -133.1 74.32 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 127.514 2.326 . . . . 1.0 107.354 -177.16 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 56.1 tp -149.66 144.96 26.47 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.735 1.614 . . . . 1.0 110.987 -171.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 . . . . . 0 C--O 1.254 1.339 0 C-N-CA 126.236 1.814 . . . . 1.0 111.641 179.302 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 14.1 tpt . . . . . 0 N--CA 1.494 1.759 0 N-CA-C 110.728 -0.101 . . . . 1.0 110.728 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 29.2 m -61.91 156.94 19.57 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.748 1.219 . . . . 1.0 113.428 178.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 44.3 p -136.83 163.4 30.73 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.497 1.519 . . . . 1.0 112.026 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 17.0 m -140.4 156.02 69.78 Favored Pre-proline 0 N--CA 1.48 1.07 0 C-N-CA 125.575 1.55 . . . . 1.0 111.98 -177.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -67.61 164.74 29.92 Favored 'Trans proline' 0 CA--C 1.538 0.713 0 C-N-CA 122.783 2.322 . . . . 1.0 112.482 170.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -112.85 -19.26 12.04 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 126.788 2.035 . . . . 1.0 112.24 176.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -145.11 145.59 31.47 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.908 1.283 . . . . 1.0 110.268 -178.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 52.2 ttt180 -146.69 119.74 8.81 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.475 1.11 . . . . 1.0 111.797 173.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -64.51 118.43 47.45 Favored Pre-proline 0 CA--C 1.547 0.86 0 C-N-CA 124.963 1.305 . . . . 1.0 111.676 175.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_endo -72.86 -20.55 22.28 Favored 'Trans proline' 0 CA--C 1.539 0.773 0 C-N-CA 122.574 2.183 . . . . 1.0 113.973 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -74.57 -33.0 62.58 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 113.561 0.949 . . . . 1.0 113.561 -176.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 49.5 p -131.39 -14.89 3.27 Favored 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 114.762 1.393 . . . . 1.0 114.762 -175.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 91.69 -2.01 76.2 Favored Glycine 0 CA--C 1.537 1.419 0 C-N-CA 125.034 1.302 . . . . 1.0 115.328 177.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -59.59 147.21 37.99 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 125.625 1.57 . . . . 1.0 112.535 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 22.8 p -126.88 155.59 42.75 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 125.093 1.357 . . . . 1.0 113.167 -172.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 26.9 t90 -152.4 165.02 36.32 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.061 1.344 . . . . 1.0 110.907 172.517 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 91.4 p -135.23 -12.85 2.12 Favored 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 116.965 2.209 . . . . 1.0 116.965 -169.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 119.96 -17.87 9.89 Favored Glycine 0 CA--C 1.538 1.521 0 C-N-CA 124.376 0.988 . . . . 1.0 114.234 -175.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 59.2 ttt85 -68.38 129.0 38.64 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.559 1.143 . . . . 1.0 111.629 177.179 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 65.7 -165.64 36.77 Favored Glycine 0 CA--C 1.54 1.599 0 C-N-CA 123.812 0.72 . . . . 1.0 114.083 -179.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 44.3 ttm180 -66.57 141.81 57.71 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.868 0.867 . . . . 1.0 111.152 172.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 20.4 pm0 -59.08 149.24 67.9 Favored Pre-proline 0 CA--C 1.551 1.003 0 C-N-CA 124.307 1.043 . . . . 1.0 113.28 176.077 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -74.5 160.06 42.12 Favored 'Trans proline' 0 CA--C 1.54 0.775 0 C-N-CA 123.081 2.52 . . . . 1.0 112.252 178.423 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.82 -35.52 73.02 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 114.521 1.304 . . . . 1.0 114.521 -173.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 53.1 p-90 -63.9 -26.99 68.85 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 113.672 0.99 . . . . 1.0 113.672 177.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.8 tp -70.35 -20.79 62.95 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 113.796 1.036 . . . . 1.0 113.796 -178.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -49.67 -40.72 33.45 Favored Glycine 0 CA--C 1.534 1.229 0 C-N-CA 125.953 1.74 . . . . 1.0 116.834 -169.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -62.24 -55.8 24.83 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 113.488 0.922 . . . . 1.0 113.488 -173.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -170.59 98.89 0.43 Allowed Pre-proline 0 CA--C 1.55 0.946 0 C-N-CA 125.125 1.37 . . . . 1.0 111.065 -175.01 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo -42.37 -37.3 4.99 Favored 'Trans proline' 0 C--N 1.352 0.756 0 C-N-CA 124.813 3.675 . . . . 1.0 116.248 179.104 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -60.85 -21.05 62.83 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 114.863 1.431 . . . . 1.0 114.863 179.1 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.96 -24.44 65.16 Favored 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 113.932 1.086 . . . . 1.0 113.932 176.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -139.41 0.88 1.92 Allowed 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.995 1.318 . . . . 1.0 114.487 -172.188 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 3.3 mt -54.18 149.69 9.33 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.518 1.527 . . . . 1.0 113.498 170.064 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 45.2 mt -122.05 130.65 74.39 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 C-N-CA 126.751 2.021 . . . . 1.0 108.259 175.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -134.86 149.5 70.74 Favored Pre-proline 0 CA--C 1.549 0.929 0 C-N-CA 125.172 1.389 . . . . 1.0 111.312 176.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -81.23 -7.09 13.0 Favored 'Trans proline' 0 CA--C 1.543 0.963 0 C-N-CA 123.236 2.624 . . . . 1.0 115.156 -172.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 25.0 t0 47.47 34.59 3.5 Favored 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 126.057 1.743 . . . . 1.0 113.975 -171.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 16.6 tp -145.72 138.81 14.19 Favored Pre-proline 0 CA--C 1.549 0.912 0 C-N-CA 126.656 1.982 . . . . 1.0 109.647 -176.242 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -66.49 139.38 53.62 Favored 'Trans proline' 0 CA--C 1.542 0.906 0 C-N-CA 122.507 2.138 . . . . 1.0 111.818 176.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -153.26 169.37 23.22 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.246 1.418 . . . . 1.0 112.075 -174.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . 0.274 0.2 OUTLIER -84.94 57.23 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 CA-C-O 123.98 1.847 . . . . 1.0 110.52 178.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 97.2 mt -127.66 6.01 6.17 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 126.949 2.1 . . . . 1.0 113.038 -174.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 . . . . . 0 C--O 1.255 1.368 0 C-N-CA 126.658 1.983 . . . . 1.0 112.015 -179.764 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 28.1 ttt . . . . . 0 N--CA 1.494 1.768 0 N-CA-C 110.405 -0.22 . . . . 1.0 110.405 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 18.6 m -70.52 -18.57 62.94 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 115.35 1.611 . . . . 1.0 115.35 -171.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 45.7 p -137.42 165.96 24.99 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 126.143 1.777 . . . . 1.0 111.946 -177.127 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 9.8 p -146.07 140.65 15.74 Favored Pre-proline 0 N--CA 1.48 1.03 0 C-N-CA 124.891 1.276 . . . . 1.0 111.057 178.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -68.15 164.2 33.08 Favored 'Trans proline' 0 CA--C 1.541 0.874 0 C-N-CA 123.391 2.727 . . . . 1.0 113.045 175.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 23.8 ttmm -122.04 -22.94 5.51 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 126.382 1.873 . . . . 1.0 112.38 178.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -140.41 147.23 39.41 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.74 1.216 . . . . 1.0 110.284 179.069 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 60.7 ttp180 -144.5 110.34 5.36 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.499 1.12 . . . . 1.0 111.164 177.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -59.99 115.92 15.02 Favored Pre-proline 0 CA--C 1.546 0.802 0 C-N-CA 125.54 1.536 . . . . 1.0 111.732 177.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -71.37 -19.24 29.12 Favored 'Trans proline' 0 CA--C 1.541 0.868 0 C-N-CA 122.409 2.073 . . . . 1.0 113.677 -177.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -77.37 -33.4 55.23 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 113.717 1.006 . . . . 1.0 113.717 -177.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 48.7 p -134.92 -14.2 2.11 Favored 'General case' 0 N--CA 1.482 1.15 0 N-CA-C 115.383 1.623 . . . . 1.0 115.383 -172.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 88.4 2.25 80.03 Favored Glycine 0 CA--C 1.539 1.538 0 C-N-CA 124.445 1.021 . . . . 1.0 115.242 179.184 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -59.61 149.52 30.05 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 125.417 1.487 . . . . 1.0 112.052 175.06 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 37.5 p -135.86 159.91 40.22 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 113.976 1.102 . . . . 1.0 113.976 -175.14 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 22.8 t90 -150.88 164.63 35.84 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.543 1.537 . . . . 1.0 110.15 171.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 88.1 p -135.71 -9.9 2.11 Favored 'General case' 0 N--CA 1.481 1.121 0 N-CA-C 117.873 2.546 . . . . 1.0 117.873 -169.051 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 120.3 -0.89 12.87 Favored Glycine 0 CA--C 1.538 1.521 0 CA-C-N 119.787 1.176 . . . . 1.0 115.602 -177.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -135.31 149.5 49.78 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 125.505 1.522 . . . . 1.0 111.82 -173.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 70.66 -178.45 32.1 Favored Glycine 0 CA--C 1.539 1.591 0 C-N-CA 124.177 0.894 . . . . 1.0 113.071 -172.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 39.6 ttp-105 -60.25 124.8 21.39 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.809 0.843 . . . . 1.0 111.569 177.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -73.06 132.13 82.89 Favored Pre-proline 0 CA--C 1.551 1.018 0 C-N-CA 124.875 1.27 . . . . 1.0 110.922 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -75.16 156.73 42.31 Favored 'Trans proline' 0 CA--C 1.543 0.935 0 C-N-CA 123.009 2.473 . . . . 1.0 113.853 -175.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.33 -35.74 80.03 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 115.54 1.681 . . . . 1.0 115.54 -169.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 66.6 p-90 -61.91 -31.58 71.89 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 118.666 0.666 . . . . 1.0 112.704 175.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.9 tt -80.4 -43.07 21.65 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.855 1.262 . . . . 1.0 112.16 -169.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -55.37 -31.03 56.58 Favored Glycine 0 CA--C 1.534 1.228 0 C-N-CA 124.844 1.211 . . . . 1.0 116.086 -177.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 50.8 t30 -58.58 -47.5 84.06 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.857 1.263 . . . . 1.0 113.918 -176.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -160.81 77.69 2.47 Favored Pre-proline 0 CA--C 1.55 0.949 0 C-N-CA 124.648 1.179 . . . . 1.0 111.008 178.121 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -47.33 -41.16 28.57 Favored 'Trans proline' 0 C--N 1.353 0.769 0 C-N-CA 124.452 3.435 . . . . 1.0 116.589 -169.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.56 -18.84 65.59 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 114.837 1.421 . . . . 1.0 114.837 -176.038 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.39 -28.51 69.74 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 114.285 1.217 . . . . 1.0 114.285 -176.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -136.72 19.49 3.07 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 126.058 1.743 . . . . 1.0 112.68 -173.341 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 3.0 tt -71.21 124.06 23.61 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.965 1.306 . . . . 1.0 109.982 172.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 64.1 mt -70.1 126.46 30.31 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 124.945 1.298 . . . . 1.0 109.933 -178.437 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 21.7 mm-40 -137.32 151.9 72.31 Favored Pre-proline 0 CA--C 1.551 0.996 0 C-N-CA 125.714 1.606 . . . . 1.0 109.563 172.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -72.8 -26.04 16.27 Favored 'Trans proline' 0 C--N 1.351 0.666 0 C-N-CA 122.647 2.231 . . . . 1.0 115.993 -169.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -170.89 -39.73 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 126.517 1.927 . . . . 1.0 112.434 175.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 65.6 mt -140.23 161.85 53.13 Favored Pre-proline 0 CA--C 1.548 0.878 0 C-N-CA 127.811 2.444 . . . . 1.0 110.605 176.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -52.42 139.3 55.84 Favored 'Trans proline' 0 C--N 1.352 0.712 0 C-N-CA 123.421 2.748 . . . . 1.0 114.025 177.354 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -76.21 33.02 0.12 Allowed 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 125.535 1.534 . . . . 1.0 114.18 175.397 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 21.5 pt -138.27 52.35 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 C-N-CA 127.513 2.325 . . . . 1.0 110.685 -178.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 22.0 tp -135.76 1.81 2.83 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 126.064 1.745 . . . . 1.0 113.81 -169.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 . . . . . 0 N--CA 1.486 1.329 0 C-N-CA 128.422 2.689 . . . . 1.0 115.414 -175.88 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 25.4 ptt? . . . . . 0 N--CA 1.497 1.921 0 N-CA-C 111.885 0.328 . . . . 1.0 111.885 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 58.7 p -70.43 -14.89 62.74 Favored 'General case' 0 N--CA 1.481 1.093 0 N-CA-C 115.974 1.842 . . . . 1.0 115.974 -174.16 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 42.3 p -134.14 165.93 23.93 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 125.646 1.578 . . . . 1.0 112.488 -178.229 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 16.8 m -140.47 155.12 69.98 Favored Pre-proline 0 N--CA 1.482 1.15 0 C-N-CA 125.397 1.479 . . . . 1.0 111.965 -178.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -67.72 166.09 25.41 Favored 'Trans proline' 0 CA--C 1.541 0.849 0 C-N-CA 123.171 2.581 . . . . 1.0 112.76 171.046 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -120.54 -23.4 6.1 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 126.598 1.959 . . . . 1.0 112.629 179.191 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 -140.63 148.03 40.26 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 124.744 1.218 . . . . 1.0 110.429 -179.368 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 51.2 ttt180 -144.52 118.82 9.56 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 123.697 0.799 . . . . 1.0 111.822 172.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -61.27 117.72 29.49 Favored Pre-proline 0 CA--C 1.546 0.8 0 C-N-CA 125.922 1.689 . . . . 1.0 111.848 178.176 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -72.3 -19.83 25.11 Favored 'Trans proline' 0 CA--C 1.542 0.875 0 C-N-CA 122.533 2.155 . . . . 1.0 113.877 -177.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -74.8 -38.36 62.11 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 113.593 0.96 . . . . 1.0 113.593 -177.226 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 56.2 p -136.44 -10.59 1.9 Allowed 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 115.216 1.561 . . . . 1.0 115.216 -173.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 94.4 1.66 64.22 Favored Glycine 0 CA--C 1.535 1.302 0 CA-C-O 118.64 -1.089 . . . . 1.0 115.788 172.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 48.9 mttp -57.95 149.24 23.45 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 125.561 1.545 . . . . 1.0 112.166 177.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 24.8 p -126.12 155.53 41.49 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 124.623 1.169 . . . . 1.0 113.632 -176.104 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 20.5 t90 -147.66 165.19 31.18 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.26 1.424 . . . . 1.0 110.498 170.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 90.9 p -136.28 5.5 3.0 Favored 'General case' 0 N--CA 1.485 1.279 0 N-CA-C 117.215 2.302 . . . . 1.0 117.215 -168.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 95.24 4.08 61.3 Favored Glycine 0 CA--C 1.54 1.595 0 CA-C-N 119.483 1.038 . . . . 1.0 115.038 -179.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -137.61 155.75 48.83 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 125.807 1.643 . . . . 1.0 111.636 -174.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 71.42 -167.68 51.75 Favored Glycine 0 CA--C 1.537 1.446 0 C-N-CA 123.979 0.799 . . . . 1.0 113.721 179.292 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -64.15 102.73 0.53 Allowed 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.957 1.303 . . . . 1.0 111.483 177.35 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 42.6 tt0 -60.97 134.91 92.93 Favored Pre-proline 0 CA--C 1.551 1.012 0 C-N-CA 124.822 1.249 . . . . 1.0 111.699 178.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -76.68 162.42 32.81 Favored 'Trans proline' 0 CA--C 1.541 0.872 0 C-N-CA 123.07 2.514 . . . . 1.0 113.26 -179.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.81 -37.99 88.9 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 114.545 1.313 . . . . 1.0 114.545 -172.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 63.8 p-90 -62.85 -24.15 67.64 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 113.573 0.953 . . . . 1.0 113.573 -179.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.77 -28.49 69.61 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.476 1.11 . . . . 1.0 112.89 175.048 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -80.65 46.66 3.34 Favored Glycine 0 CA--C 1.538 1.495 0 C-N-CA 125.814 1.673 . . . . 1.0 115.524 -170.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -142.25 -60.97 0.45 Allowed 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 118.347 1.073 . . . . 1.0 112.906 178.118 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -154.71 79.47 4.77 Favored Pre-proline 0 CA--C 1.544 0.733 0 C-N-CA 124.275 1.03 . . . . 1.0 110.755 179.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_exo -45.99 -39.68 19.95 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 124.469 3.446 . . . . 1.0 116.551 -170.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.99 -21.29 66.4 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 114.657 1.354 . . . . 1.0 114.657 -178.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.51 -27.21 67.59 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 113.785 1.032 . . . . 1.0 113.785 -177.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -132.36 12.07 4.56 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 125.47 1.508 . . . . 1.0 112.778 -175.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 3.6 tt -66.17 131.63 46.59 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.35 1.06 . . . . 1.0 108.566 169.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 77.6 mt -66.18 110.59 1.4 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 C-N-CA 124.3 1.04 . . . . 1.0 108.973 177.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -140.99 164.62 34.79 Favored Pre-proline 0 CA--C 1.547 0.847 0 C-N-CA 125.252 1.421 . . . . 1.0 111.651 -169.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -54.61 -9.02 1.46 Allowed 'Trans proline' 0 C--N 1.355 0.91 0 C-N-CA 124.738 3.625 . . . . 1.0 118.266 -175.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -57.43 -24.03 53.12 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 125.178 1.391 . . . . 1.0 113.065 169.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.3 pp -125.42 158.92 62.6 Favored Pre-proline 0 CA--C 1.55 0.958 0 C-N-CA 127.706 2.402 . . . . 1.0 111.114 176.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -75.87 66.64 6.74 Favored 'Trans proline' 0 CA--C 1.541 0.838 0 C-N-CA 124.578 3.519 . . . . 1.0 113.296 -175.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -76.36 52.7 0.78 Allowed 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 127.763 2.425 . . . . 1.0 112.86 -178.282 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . 0.304 8.8 tp 36.01 58.36 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 127.579 2.352 . . . . 1.0 113.624 -171.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 90.8 mt -71.87 -18.26 62.07 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 113.528 -1.669 . . . . 1.0 114.313 -169.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 . . . . . 0 C--O 1.254 1.305 0 C-N-CA 126.169 1.788 . . . . 1.0 112.434 -179.973 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 65.7 mtt . . . . . 0 N--CA 1.497 1.886 0 N-CA-C 110.319 -0.252 . . . . 1.0 110.319 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 20.2 m -133.88 12.15 3.99 Favored 'General case' 0 N--CA 1.485 1.297 0 N-CA-C 114.126 1.158 . . . . 1.0 114.126 -169.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 72.4 p -72.48 161.7 30.45 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.311 1.044 . . . . 1.0 112.727 176.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.7 p -146.56 139.53 14.4 Favored Pre-proline 0 N--CA 1.478 0.954 0 C-N-CA 125.166 1.386 . . . . 1.0 110.97 178.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -68.72 165.96 27.78 Favored 'Trans proline' 0 CA--C 1.538 0.686 0 C-N-CA 123.677 2.918 . . . . 1.0 113.644 177.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -121.02 -29.26 4.61 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 126.31 1.844 . . . . 1.0 112.663 -179.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -135.1 148.22 49.75 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 125.149 1.38 . . . . 1.0 110.349 -177.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 51.3 ttt180 -145.61 117.02 7.98 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.14 0.976 . . . . 1.0 111.859 175.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -62.2 118.46 40.05 Favored Pre-proline 0 CA--C 1.549 0.906 0 C-N-CA 125.309 1.444 . . . . 1.0 111.926 178.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -71.18 -20.67 28.06 Favored 'Trans proline' 0 CA--C 1.539 0.774 0 C-N-CA 122.62 2.213 . . . . 1.0 113.976 -177.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -77.26 -31.36 54.89 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 113.736 1.013 . . . . 1.0 113.736 -177.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 51.6 p -132.63 -17.01 2.58 Favored 'General case' 0 N--CA 1.481 1.122 0 N-CA-C 115.205 1.557 . . . . 1.0 115.205 -173.002 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 88.65 -0.79 83.18 Favored Glycine 0 CA--C 1.538 1.477 0 C-N-CA 124.77 1.176 . . . . 1.0 115.124 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -59.31 149.35 29.13 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 125.746 1.619 . . . . 1.0 112.306 176.45 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 24.5 p -126.57 157.68 38.2 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 124.723 1.209 . . . . 1.0 113.518 -174.15 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 26.0 t90 -145.97 161.63 39.64 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.191 1.396 . . . . 1.0 110.309 170.004 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.6 m -128.19 14.77 6.74 Favored 'General case' 0 N--CA 1.481 1.105 0 N-CA-C 116.53 2.048 . . . . 1.0 116.53 -168.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 85.08 7.7 83.12 Favored Glycine 0 CA--C 1.538 1.508 0 O-C-N 121.192 -0.942 . . . . 1.0 115.349 174.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 83.1 mtp180 -135.58 153.96 51.51 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 125.535 1.534 . . . . 1.0 111.957 -177.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 66.34 -170.68 30.24 Favored Glycine 0 CA--C 1.54 1.606 0 C-N-CA 123.862 0.744 . . . . 1.0 113.774 -174.269 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 -64.12 111.34 2.51 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.241 1.016 . . . . 1.0 111.229 175.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -61.28 148.21 85.73 Favored Pre-proline 0 CA--C 1.55 0.961 0 C-N-CA 123.678 0.791 . . . . 1.0 112.689 176.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -74.46 165.3 32.03 Favored 'Trans proline' 0 CA--C 1.541 0.835 0 C-N-CA 123.258 2.639 . . . . 1.0 112.831 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.88 -37.69 77.14 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 114.297 1.221 . . . . 1.0 114.297 -173.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 64.1 p-90 -65.91 -23.94 66.74 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 113.695 0.998 . . . . 1.0 113.695 177.019 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.24 -33.42 73.25 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.141 0.976 . . . . 1.0 112.52 177.482 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -78.02 45.74 2.56 Favored Glycine 0 CA--C 1.537 1.412 0 C-N-CA 125.771 1.653 . . . . 1.0 115.566 -171.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -142.56 -57.44 0.44 Allowed 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 118.236 1.018 . . . . 1.0 113.011 178.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -155.03 79.54 4.58 Favored Pre-proline 0 CA--C 1.548 0.879 0 C-N-CA 123.974 0.909 . . . . 1.0 111.455 -179.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -46.82 -34.08 15.27 Favored 'Trans proline' 0 C--N 1.353 0.806 0 C-N-CA 124.607 3.538 . . . . 1.0 116.898 -172.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.47 -24.47 67.17 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 114.449 1.277 . . . . 1.0 114.449 179.562 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.79 -24.59 65.33 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 114.654 1.353 . . . . 1.0 114.654 -171.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -136.33 20.06 3.16 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 125.299 1.44 . . . . 1.0 113.266 -170.331 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 10.4 mt -60.96 140.93 57.65 Favored 'General case' 0 N--CA 1.474 0.732 0 O-C-N 120.772 -1.205 . . . . 1.0 110.563 169.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 76.5 mt -78.38 120.43 29.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 123.655 0.782 . . . . 1.0 108.917 173.19 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -140.62 154.69 69.4 Favored Pre-proline 0 CA--C 1.548 0.889 0 C-N-CA 125.524 1.529 . . . . 1.0 111.127 -177.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -76.21 66.07 7.06 Favored 'Trans proline' 0 CA--C 1.546 1.111 0 C-N-CA 124.537 3.491 . . . . 1.0 112.375 176.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -55.96 -24.91 41.28 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 125.873 1.669 . . . . 1.0 114.318 178.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 85.3 mt -135.08 156.35 78.35 Favored Pre-proline 0 CA--C 1.549 0.926 0 C-N-CA 127.778 2.431 . . . . 1.0 110.025 169.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -51.36 143.32 34.84 Favored 'Trans proline' 0 CA--C 1.542 0.907 0 C-N-CA 123.789 2.992 . . . . 1.0 114.643 177.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -147.59 160.33 42.77 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.364 1.466 . . . . 1.0 111.774 178.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . 0.292 7.3 tp 31.45 62.15 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 C-N-CA 127.818 2.447 . . . . 1.0 114.727 -178.791 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 65.5 tp -146.59 -44.05 0.19 Allowed 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.3 1.44 . . . . 1.0 113.019 -175.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 . . . . . 0 C--O 1.253 1.254 0 C-N-CA 126.149 1.779 . . . . 1.0 113.314 -179.258 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 27.9 ttt . . . . . 0 N--CA 1.494 1.737 0 CA-C-O 118.673 -0.68 . . . . 1.0 111.322 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 73.7 p -137.08 6.13 2.83 Favored 'General case' 0 N--CA 1.485 1.32 0 N-CA-C 115.037 1.495 . . . . 1.0 115.037 -169.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 50.7 p -138.85 162.03 35.8 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 125.392 1.477 . . . . 1.0 112.026 -177.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 16.4 m -140.68 155.52 69.4 Favored Pre-proline 0 N--CA 1.482 1.133 0 C-N-CA 125.63 1.572 . . . . 1.0 111.619 -178.403 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -68.87 165.71 28.91 Favored 'Trans proline' 0 CA--C 1.542 0.89 0 C-N-CA 122.976 2.451 . . . . 1.0 112.537 170.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 56.6 tttp -128.32 -23.14 3.29 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 126.521 1.929 . . . . 1.0 112.79 177.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -139.37 144.64 38.27 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 125.122 1.369 . . . . 1.0 109.819 -177.22 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 52.7 ttt180 -145.21 121.76 11.07 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 124.542 1.137 . . . . 1.0 111.507 175.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -64.7 117.67 40.54 Favored Pre-proline 0 CA--C 1.546 0.809 0 C-N-CA 125.026 1.331 . . . . 1.0 111.683 175.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -71.59 -20.98 26.25 Favored 'Trans proline' 0 CA--C 1.544 0.977 0 C-N-CA 122.465 2.11 . . . . 1.0 113.726 -179.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -75.23 -34.13 61.4 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 113.799 1.037 . . . . 1.0 113.799 -176.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 46.1 p -132.63 -14.85 2.8 Favored 'General case' 0 N--CA 1.482 1.147 0 N-CA-C 114.733 1.383 . . . . 1.0 114.733 -174.122 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 92.08 -0.98 73.17 Favored Glycine 0 CA--C 1.537 1.468 0 C-N-CA 124.768 1.175 . . . . 1.0 115.537 177.159 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -58.87 148.8 28.8 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 125.634 1.574 . . . . 1.0 112.509 178.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 14.3 p -128.04 153.49 46.72 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 124.789 1.236 . . . . 1.0 113.412 -172.2 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 28.0 t90 -149.41 166.52 28.82 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.655 1.582 . . . . 1.0 110.596 173.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 87.5 p -133.37 6.62 3.84 Favored 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 117.205 2.298 . . . . 1.0 117.205 -168.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 88.73 18.7 54.06 Favored Glycine 0 CA--C 1.537 1.411 0 CA-C-N 119.357 0.981 . . . . 1.0 114.629 178.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 78.9 mtp85 -125.42 140.37 52.85 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.819 1.648 . . . . 1.0 110.729 -178.03 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 66.43 -169.83 32.2 Favored Glycine 0 CA--C 1.54 1.624 0 C-N-CA 123.581 0.61 . . . . 1.0 113.094 -169.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 80.7 ttt180 -63.46 139.0 58.72 Favored 'General case' 0 N--CA 1.478 0.94 0 O-C-N 121.728 -0.866 . . . . 1.0 111.28 173.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -58.49 153.28 40.17 Favored Pre-proline 0 CA--C 1.549 0.935 0 C-N-CA 123.681 0.792 . . . . 1.0 113.13 176.111 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -73.86 162.08 40.11 Favored 'Trans proline' 0 CA--C 1.541 0.846 0 C-N-CA 122.909 2.406 . . . . 1.0 111.576 169.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -65.98 -37.79 86.85 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 113.448 0.907 . . . . 1.0 113.448 -178.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 37.5 p-90 -62.15 -21.95 65.47 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 113.936 1.087 . . . . 1.0 113.936 179.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 7.0 tp -68.32 -15.4 63.55 Favored 'General case' 0 CA--C 1.55 0.943 0 N-CA-C 113.439 0.903 . . . . 1.0 113.439 176.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 50.45 -128.6 28.08 Favored Glycine 0 CA--C 1.538 1.5 0 C-N-CA 124.367 0.984 . . . . 1.0 113.238 -178.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -126.18 14.17 7.8 Favored 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 125.059 1.344 . . . . 1.0 113.068 178.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -147.23 79.18 9.93 Favored Pre-proline 0 CA--C 1.551 0.983 0 C-N-CA 125.025 1.33 . . . . 1.0 111.529 -179.03 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -51.93 -22.08 13.46 Favored 'Trans proline' 0 C--N 1.352 0.723 0 C-N-CA 125.077 3.852 . . . . 1.0 117.621 -174.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -54.48 -29.31 49.63 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 115.291 1.589 . . . . 1.0 115.291 -173.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -70.62 -20.98 62.69 Favored 'General case' 0 CA--C 1.549 0.913 0 N-CA-C 114.637 1.347 . . . . 1.0 114.637 178.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -132.88 -5.9 3.14 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 125.607 1.563 . . . . 1.0 113.355 -174.185 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 3.1 mt -54.87 131.25 43.85 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.042 1.337 . . . . 1.0 110.163 169.436 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 76.1 mt -69.84 119.17 15.41 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 N-CA-C 108.199 -1.038 . . . . 1.0 108.199 172.046 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -143.02 150.57 53.31 Favored Pre-proline 0 CA--C 1.547 0.829 0 C-N-CA 125.531 1.532 . . . . 1.0 111.013 -169.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -68.93 135.6 32.91 Favored 'Trans proline' 0 CA--C 1.536 0.611 0 C-N-CA 122.606 2.204 . . . . 1.0 112.18 -175.048 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -63.33 -31.28 72.39 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.029 0.932 . . . . 1.0 113.439 173.084 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -66.16 151.65 95.26 Favored Pre-proline 0 CA--C 1.552 1.021 0 C-N-CA 125.736 1.614 . . . . 1.0 112.33 179.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -67.5 154.98 72.12 Favored 'Trans proline' 0 CA--C 1.538 0.72 0 C-N-CA 123.452 2.768 . . . . 1.0 112.607 175.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -65.48 165.67 11.7 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 124.337 1.055 . . . . 1.0 113.039 174.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 7.3 tp -79.33 51.94 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 CA-C-O 124.138 1.923 . . . . 1.0 112.306 176.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 42.4 tp -68.98 -23.42 64.11 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 126.53 1.932 . . . . 1.0 113.292 177.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 . . . . . 0 C--O 1.254 1.34 0 C-N-CA 126.116 1.767 . . . . 1.0 114.668 179.196 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 24.2 mmt . . . . . 0 N--CA 1.496 1.843 0 CA-C-O 119.839 -0.124 . . . . 1.0 110.667 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 19.4 m -133.11 11.35 4.22 Favored 'General case' 0 N--CA 1.483 1.186 0 N-CA-C 114.244 1.201 . . . . 1.0 114.244 -169.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 13.1 t -145.7 162.37 37.73 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.201 1.4 . . . . 1.0 112.112 177.032 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 16.8 m -140.91 154.59 68.69 Favored Pre-proline 0 N--CA 1.479 1.001 0 C-N-CA 126.174 1.79 . . . . 1.0 111.819 -177.02 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -68.17 162.03 41.97 Favored 'Trans proline' 0 CA--C 1.538 0.724 0 C-N-CA 122.67 2.246 . . . . 1.0 112.297 171.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 58.1 mtpt -111.53 -25.21 9.69 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 125.74 1.616 . . . . 1.0 112.683 172.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -142.55 144.98 33.15 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.601 0.76 . . . . 1.0 111.23 -172.203 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 70.6 ttp85 -143.34 113.02 6.99 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 126.394 1.878 . . . . 1.0 110.251 174.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -64.49 108.79 2.15 Favored Pre-proline 0 CA--C 1.546 0.822 0 C-N-CA 125.799 1.639 . . . . 1.0 112.494 179.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -57.6 -26.99 75.07 Favored 'Trans proline' 0 CA--C 1.539 0.742 0 C-N-CA 122.739 2.293 . . . . 1.0 114.434 179.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -76.17 -19.11 58.74 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 114.431 1.271 . . . . 1.0 114.431 -176.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 68.9 p -141.16 -23.24 0.75 Allowed 'General case' 0 N--CA 1.483 1.22 0 N-CA-C 115.559 1.689 . . . . 1.0 115.559 -174.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 86.2 0.86 86.74 Favored Glycine 0 CA--C 1.538 1.512 0 C-N-CA 124.23 0.919 . . . . 1.0 114.648 -171.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -59.09 149.03 28.98 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 119.057 1.428 . . . . 1.0 111.466 172.197 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 27.0 p -133.78 157.99 44.49 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 124.261 1.024 . . . . 1.0 113.217 -174.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 23.5 t90 -152.63 162.94 40.56 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.595 1.158 . . . . 1.0 111.561 176.18 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 91.9 p -141.38 0.58 1.51 Allowed 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 115.948 1.833 . . . . 1.0 115.948 -169.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 107.84 -19.18 33.47 Favored Glycine 0 CA--C 1.539 1.546 0 C-N-CA 124.425 1.012 . . . . 1.0 114.529 -178.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -69.95 135.09 49.07 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 124.767 1.227 . . . . 1.0 111.349 177.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 65.79 -165.91 36.66 Favored Glycine 0 CA--C 1.539 1.544 0 C-N-CA 123.689 0.662 . . . . 1.0 114.295 -179.253 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -64.51 148.36 50.85 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.1 0.96 . . . . 1.0 112.283 177.202 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -62.22 135.17 94.93 Favored Pre-proline 0 CA--C 1.552 1.023 0 C-N-CA 124.327 1.051 . . . . 1.0 111.614 175.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -57.42 152.8 44.68 Favored 'Trans proline' 0 C--N 1.353 0.764 0 C-N-CA 123.469 2.779 . . . . 1.0 113.541 169.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.52 -37.76 80.3 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 113.079 0.77 . . . . 1.0 113.079 179.068 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 40.6 p-90 -61.04 -29.49 69.76 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 113.659 0.985 . . . . 1.0 113.659 178.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.4 tp -68.03 -17.54 64.44 Favored 'General case' 0 CA--C 1.549 0.915 0 N-CA-C 114.215 1.191 . . . . 1.0 114.215 -178.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -53.24 -41.58 61.93 Favored Glycine 0 CA--C 1.534 1.281 0 C-N-CA 125.737 1.636 . . . . 1.0 117.119 -169.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -62.25 -54.86 34.7 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 113.695 0.998 . . . . 1.0 113.695 -171.136 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -169.07 96.73 0.52 Allowed Pre-proline 0 CA--C 1.545 0.758 0 C-N-CA 125.22 1.408 . . . . 1.0 110.558 -176.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_exo -43.71 -33.26 4.67 Favored 'Trans proline' 0 C--N 1.354 0.819 0 C-N-CA 124.952 3.768 . . . . 1.0 116.593 -176.231 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -57.47 -23.39 49.62 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 114.987 1.477 . . . . 1.0 114.987 176.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.85 -21.21 64.29 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 114.077 1.14 . . . . 1.0 114.077 177.163 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -133.32 -11.94 2.8 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.991 1.316 . . . . 1.0 113.7 -173.743 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 4.2 mt -53.46 149.01 8.25 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 125.594 1.558 . . . . 1.0 113.184 174.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 49.1 mt -118.06 122.96 70.91 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 C-N-CA 125.723 1.609 . . . . 1.0 108.378 179.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -140.06 156.84 70.16 Favored Pre-proline 0 CA--C 1.548 0.879 0 C-N-CA 125.303 1.441 . . . . 1.0 110.848 178.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_exo -54.58 -15.13 8.45 Favored 'Trans proline' 0 C--N 1.355 0.918 0 C-N-CA 124.679 3.586 . . . . 1.0 117.568 -178.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -52.87 -25.14 10.73 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 125.964 1.705 . . . . 1.0 114.182 171.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 9.5 tt -140.18 123.33 10.27 Favored Pre-proline 0 CA--C 1.547 0.845 0 C-N-CA 126.208 1.803 . . . . 1.0 110.148 171.183 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -47.69 114.77 1.17 Allowed 'Trans proline' 0 CA--C 1.541 0.825 0 C-N-CA 124.652 3.568 . . . . 1.0 114.103 178.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -50.22 106.21 0.11 Allowed 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.351 1.46 . . . . 1.0 112.504 -174.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . 0.372 4.5 tt 34.63 49.99 0.2 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.79 0 C-N-CA 127.378 2.271 . . . . 1.0 115.265 -169.571 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 42.4 mt -137.8 6.23 2.67 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 127.392 2.277 . . . . 1.0 113.08 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 . . . . . 0 C--O 1.253 1.271 0 C-N-CA 126.397 1.879 . . . . 1.0 112.223 176.641 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 66.2 mtt . . . . . 0 N--CA 1.495 1.8 0 N-CA-C 110.614 -0.143 . . . . 1.0 110.614 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 78.8 p -150.81 168.94 22.91 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.26 1.424 . . . . 1.0 112.51 -179.454 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 44.6 p -138.38 165.69 26.15 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 125.69 1.596 . . . . 1.0 112.157 -177.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.9 p -145.26 145.37 26.37 Favored Pre-proline 0 N--CA 1.479 0.977 0 C-N-CA 124.989 1.316 . . . . 1.0 111.272 179.165 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -52.4 164.47 1.33 Allowed 'Trans proline' 0 CA--C 1.539 0.752 0 C-N-CA 124.246 3.298 . . . . 1.0 114.94 169.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -105.98 -24.56 12.38 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 126.229 1.812 . . . . 1.0 112.851 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -142.47 146.84 35.18 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 124.695 1.198 . . . . 1.0 110.715 -174.425 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 53.0 ttt180 -144.87 114.4 7.17 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.639 0.776 . . . . 1.0 112.618 171.426 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -56.66 118.13 21.06 Favored Pre-proline 0 CA--C 1.552 1.023 0 C-N-CA 126.106 1.762 . . . . 1.0 112.009 178.114 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -72.32 -21.08 23.57 Favored 'Trans proline' 0 CA--C 1.541 0.83 0 C-N-CA 122.638 2.225 . . . . 1.0 113.853 -178.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.56 -38.39 65.22 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 113.541 0.941 . . . . 1.0 113.541 -176.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 51.7 p -135.38 -10.75 2.18 Favored 'General case' 0 N--CA 1.482 1.152 0 N-CA-C 114.924 1.453 . . . . 1.0 114.924 -173.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 93.91 1.96 65.01 Favored Glycine 0 CA--C 1.537 1.413 0 CA-C-O 118.619 -1.101 . . . . 1.0 115.52 173.225 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 47.6 mttp -59.19 149.03 29.44 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 125.424 1.49 . . . . 1.0 112.23 178.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 24.5 p -125.15 155.93 39.16 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 124.755 1.222 . . . . 1.0 113.43 -176.477 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 22.2 t90 -150.03 164.16 36.24 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.735 1.214 . . . . 1.0 111.032 171.142 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 89.8 p -135.01 8.24 3.48 Favored 'General case' 0 N--CA 1.482 1.143 0 N-CA-C 117.249 2.314 . . . . 1.0 117.249 -168.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 87.01 18.57 57.65 Favored Glycine 0 CA--C 1.534 1.253 0 O-C-N 121.161 -0.962 . . . . 1.0 114.781 178.338 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? -129.55 145.44 51.47 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 126.441 1.896 . . . . 1.0 110.66 179.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 66.31 -167.86 35.36 Favored Glycine 0 CA--C 1.538 1.519 0 C-N-CA 123.171 0.415 . . . . 1.0 112.864 -169.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 93.7 mtm-85 -67.14 139.47 57.49 Favored 'General case' 0 N--CA 1.478 0.934 0 O-C-N 121.772 -0.84 . . . . 1.0 111.36 173.215 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -62.58 152.18 81.66 Favored Pre-proline 0 CA--C 1.547 0.851 0 N-CA-C 112.961 0.726 . . . . 1.0 112.961 173.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -76.19 160.33 36.3 Favored 'Trans proline' 0 CA--C 1.542 0.876 0 C-N-CA 122.978 2.452 . . . . 1.0 112.104 172.519 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.84 -37.23 81.34 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 113.857 1.058 . . . . 1.0 113.857 -176.294 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 60.0 p-90 -65.66 -16.54 63.84 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 114.223 1.194 . . . . 1.0 114.223 178.181 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.1 tp -68.33 -21.87 64.72 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 113.394 0.887 . . . . 1.0 113.394 176.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -78.07 48.38 3.03 Favored Glycine 0 CA--C 1.535 1.289 0 C-N-CA 126.383 1.944 . . . . 1.0 115.962 -169.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -143.32 -58.39 0.41 Allowed 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 118.129 0.964 . . . . 1.0 112.302 174.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -157.39 94.56 2.15 Favored Pre-proline 0 CA--C 1.544 0.731 0 C-N-CA 124.57 1.148 . . . . 1.0 110.162 178.4 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_exo -48.23 -23.53 4.86 Favored 'Trans proline' 0 CA--C 1.541 0.868 0 C-N-CA 124.674 3.582 . . . . 1.0 117.048 -177.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -80.18 -22.95 41.39 Favored 'General case' 0 CA--C 1.549 0.931 0 N-CA-C 114.61 1.337 . . . . 1.0 114.61 176.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -65.42 -23.31 66.91 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 115.013 1.486 . . . . 1.0 115.013 -169.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -132.09 11.75 4.66 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 126.947 2.099 . . . . 1.0 111.837 -174.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 8.4 tp -71.71 126.77 30.55 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.727 1.211 . . . . 1.0 110.737 -175.03 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 75.1 mt -69.32 129.57 33.83 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 N-CA-C 108.758 -0.831 . . . . 1.0 108.758 173.005 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -146.42 152.19 45.4 Favored Pre-proline 0 CA--C 1.541 0.629 0 C-N-CA 125.701 1.601 . . . . 1.0 111.03 -171.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -67.61 144.7 67.39 Favored 'Trans proline' 0 CA--C 1.537 0.658 0 C-N-CA 122.449 2.099 . . . . 1.0 112.31 -176.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -58.05 -22.15 48.76 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 125.628 1.571 . . . . 1.0 115.107 -178.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 83.9 mt -137.34 150.39 68.66 Favored Pre-proline 0 CA--C 1.547 0.856 0 C-N-CA 127.192 2.197 . . . . 1.0 110.796 176.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -68.33 153.12 74.94 Favored 'Trans proline' 0 CA--C 1.539 0.732 0 C-N-CA 123.253 2.635 . . . . 1.0 113.008 -178.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -67.46 165.35 16.86 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.379 1.072 . . . . 1.0 112.847 173.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 38.8 mt -83.02 62.84 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 125.742 1.617 . . . . 1.0 108.372 174.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 31.0 tp -135.32 -9.73 2.22 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 126.831 2.053 . . . . 1.0 113.509 -169.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 . . . . . 0 C--O 1.253 1.271 0 C-N-CA 126.158 1.783 . . . . 1.0 112.311 -179.953 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.754 0 N-CA-C 111.719 0.266 . . . . 1.0 111.719 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 49.2 m -141.93 162.41 35.53 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 125.22 1.408 . . . . 1.0 112.181 -175.286 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 14.0 t -143.44 165.66 26.92 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 125.146 1.378 . . . . 1.0 111.954 176.109 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 16.7 m -140.5 154.09 69.04 Favored Pre-proline 0 N--CA 1.478 0.941 0 C-N-CA 126.224 1.809 . . . . 1.0 111.89 -175.307 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -67.05 164.98 27.94 Favored 'Trans proline' 0 C--N 1.351 0.687 0 C-N-CA 123.155 2.57 . . . . 1.0 113.126 173.389 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 30.9 mtpp -115.48 -23.72 8.68 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 125.544 1.538 . . . . 1.0 113.144 178.222 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 31.6 m-85 -140.19 147.61 40.35 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.826 1.25 . . . . 1.0 110.505 -175.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 61.2 ttp180 -145.57 115.5 7.37 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.753 1.621 . . . . 1.0 111.037 176.182 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -64.21 120.06 61.33 Favored Pre-proline 0 CA--C 1.549 0.929 0 C-N-CA 124.98 1.312 . . . . 1.0 111.504 176.019 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -72.22 -21.23 23.71 Favored 'Trans proline' 0 CA--C 1.541 0.875 0 C-N-CA 122.55 2.166 . . . . 1.0 114.232 -175.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -80.53 -27.41 37.63 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 113.626 0.973 . . . . 1.0 113.626 -177.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 69.5 p -132.98 -17.32 2.43 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 115.126 1.528 . . . . 1.0 115.126 -171.339 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 81.44 3.53 90.62 Favored Glycine 0 CA--C 1.538 1.528 0 C-N-CA 124.352 0.977 . . . . 1.0 114.932 -177.132 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -58.84 149.51 26.55 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 125.058 1.343 . . . . 1.0 111.447 172.028 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 33.4 p -133.3 160.94 35.84 Favored 'General case' 0 N--CA 1.481 1.086 0 N-CA-C 113.627 0.973 . . . . 1.0 113.627 -175.241 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 19.7 t90 -146.43 161.31 40.68 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.645 1.178 . . . . 1.0 110.794 170.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.9 m -137.09 17.01 3.0 Favored 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 116.02 1.859 . . . . 1.0 116.02 -168.578 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 87.61 12.75 66.34 Favored Glycine 0 CA--C 1.538 1.531 0 N-CA-C 115.64 1.016 . . . . 1.0 115.64 175.344 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -137.97 148.43 45.21 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 125.484 1.514 . . . . 1.0 112.015 -174.597 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 71.33 -170.76 47.5 Favored Glycine 0 CA--C 1.537 1.441 0 C-N-CA 123.923 0.773 . . . . 1.0 114.128 -178.379 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 10.4 mpt_? -65.62 112.13 3.49 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.966 0.906 . . . . 1.0 110.401 175.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -59.98 128.52 87.16 Favored Pre-proline 0 CA--C 1.553 1.086 0 C-N-CA 124.737 1.215 . . . . 1.0 112.175 -179.045 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_exo -54.03 149.45 35.08 Favored 'Trans proline' 0 CA--C 1.542 0.925 0 C-N-CA 124.043 3.162 . . . . 1.0 114.764 172.518 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.65 -33.95 76.08 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 115.214 1.561 . . . . 1.0 115.214 -171.035 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 55.4 p-90 -60.81 -26.37 67.26 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 113.852 1.056 . . . . 1.0 113.852 -178.286 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.6 mp -67.95 -18.17 64.67 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 114.036 1.125 . . . . 1.0 114.036 178.246 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -77.12 45.0 2.21 Favored Glycine 0 CA--C 1.538 1.483 0 C-N-CA 125.392 1.472 . . . . 1.0 114.777 -179.242 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -137.52 -72.27 0.43 Allowed 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.749 1.219 . . . . 1.0 112.332 -175.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -158.05 83.04 2.8 Favored Pre-proline 0 CA--C 1.546 0.817 0 C-N-CA 124.74 1.216 . . . . 1.0 110.959 -177.083 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.503 ' HA ' ' CE1' ' A' ' 103' ' ' PHE . 58.9 Cg_exo -40.51 -41.19 3.5 Favored 'Trans proline' 0 C--N 1.353 0.789 0 C-N-CA 125.119 3.88 . . . . 1.0 117.481 -172.063 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.07 -20.38 65.9 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 114.853 1.427 . . . . 1.0 114.853 -178.125 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -70.66 -24.43 62.7 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 113.762 1.023 . . . . 1.0 113.762 177.214 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.503 ' CE1' ' HA ' ' A' ' 100' ' ' PRO . 6.3 p90 -133.71 -0.83 3.13 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 114.434 1.272 . . . . 1.0 114.434 -175.181 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 6.1 mt -59.17 134.61 57.15 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 120.488 -1.383 . . . . 1.0 108.974 168.454 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 91.7 mt -70.49 124.05 25.79 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 N-CA-C 108.46 -0.941 . . . . 1.0 108.46 172.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -137.4 153.0 74.26 Favored Pre-proline 0 CA--C 1.548 0.888 0 C-N-CA 125.633 1.573 . . . . 1.0 110.901 -169.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -79.15 -2.4 12.34 Favored 'Trans proline' 0 CA--C 1.544 0.985 0 C-N-CA 123.633 2.889 . . . . 1.0 114.776 -175.249 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 23.8 t70 48.74 31.34 3.02 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 126.254 1.822 . . . . 1.0 114.486 -170.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 73.4 mt -140.77 156.8 68.74 Favored Pre-proline 0 CA--C 1.547 0.832 0 C-N-CA 126.928 2.091 . . . . 1.0 111.231 -177.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -68.21 155.92 67.63 Favored 'Trans proline' 0 CA--C 1.54 0.776 0 C-N-CA 123.123 2.549 . . . . 1.0 112.677 175.006 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -148.2 168.11 23.32 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.366 1.466 . . . . 1.0 112.358 -177.446 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 35.8 mt -87.23 61.58 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 125.516 1.526 . . . . 1.0 108.925 -178.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 97.9 mt -127.82 4.69 6.02 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 126.929 2.091 . . . . 1.0 113.015 -174.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 . . . . . 0 C--O 1.253 1.275 0 C-N-CA 126.525 1.93 . . . . 1.0 112.24 179.929 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 60.2 ttm . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 110.699 -0.112 . . . . 1.0 110.699 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 80.0 p -150.41 168.86 22.89 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 125.054 1.342 . . . . 1.0 112.324 -179.587 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 14.8 t -143.89 165.69 27.02 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 124.981 1.312 . . . . 1.0 111.866 177.153 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 17.9 m -140.53 153.05 67.87 Favored Pre-proline 0 N--CA 1.48 1.068 0 C-N-CA 126.083 1.753 . . . . 1.0 111.626 -178.034 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -69.37 161.94 43.87 Favored 'Trans proline' 0 CA--C 1.539 0.76 0 C-N-CA 122.848 2.365 . . . . 1.0 112.168 173.019 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -128.65 -23.8 3.1 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 125.76 1.624 . . . . 1.0 113.037 178.087 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -138.97 145.98 40.39 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.615 1.166 . . . . 1.0 109.967 -174.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 55.8 ttt180 -145.65 119.78 9.48 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 124.735 1.214 . . . . 1.0 111.038 176.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -64.54 117.16 35.0 Favored Pre-proline 0 CA--C 1.547 0.856 0 C-N-CA 124.829 1.252 . . . . 1.0 111.504 175.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -70.46 -20.0 32.09 Favored 'Trans proline' 0 CA--C 1.543 0.956 0 C-N-CA 122.639 2.226 . . . . 1.0 113.715 -179.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -75.34 -31.27 60.52 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 113.504 0.927 . . . . 1.0 113.504 -177.451 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 58.5 p -131.03 -17.36 3.1 Favored 'General case' 0 N--CA 1.482 1.135 0 N-CA-C 114.702 1.371 . . . . 1.0 114.702 -175.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 89.04 -2.01 83.56 Favored Glycine 0 CA--C 1.536 1.398 0 C-N-CA 125.174 1.368 . . . . 1.0 114.98 -178.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 59.5 mtpt -63.34 148.77 47.45 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 125.318 1.447 . . . . 1.0 112.415 178.678 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 24.0 p -122.32 159.61 27.06 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 125.053 1.341 . . . . 1.0 113.503 -171.481 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 30.9 t90 -150.71 164.17 36.78 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.516 1.527 . . . . 1.0 110.707 174.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 93.3 p -135.55 21.61 3.37 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 115.976 1.843 . . . . 1.0 115.976 -168.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 81.63 16.33 73.52 Favored Glycine 0 N--CA 1.476 1.353 0 N-CA-C 115.569 0.988 . . . . 1.0 115.569 171.019 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 13.1 ptp180 -139.35 158.86 43.42 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 125.609 1.563 . . . . 1.0 112.945 -176.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 65.78 -167.8 33.34 Favored Glycine 0 CA--C 1.541 1.681 0 C-N-CA 123.32 0.486 . . . . 1.0 112.838 -170.004 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 59.4 ttp180 -59.74 134.92 57.48 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.85 0.86 . . . . 1.0 111.6 176.034 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -61.41 135.49 93.85 Favored Pre-proline 0 CA--C 1.549 0.907 0 C-N-CA 124.394 1.078 . . . . 1.0 111.439 179.024 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 70.3 Cg_endo -71.74 141.27 37.21 Favored 'Trans proline' 0 CA--C 1.538 0.694 0 C-N-CA 122.675 2.25 . . . . 1.0 111.707 175.269 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.76 -32.39 70.54 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 114.042 1.127 . . . . 1.0 114.042 -173.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 34.8 p-90 -66.2 -17.31 64.65 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 114.71 1.374 . . . . 1.0 114.71 177.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 6.2 tp -66.52 -19.81 65.87 Favored 'General case' 0 CA--C 1.549 0.918 0 CA-C-N 119.564 1.075 . . . . 1.0 113.719 178.433 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 50.9 -120.58 9.3 Favored Glycine 0 CA--C 1.536 1.348 0 C-N-CA 124.859 1.219 . . . . 1.0 113.803 175.517 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 -129.98 9.93 5.39 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 125.001 1.32 . . . . 1.0 113.795 -176.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -148.4 78.88 9.14 Favored Pre-proline 0 CA--C 1.549 0.915 0 C-N-CA 124.264 1.026 . . . . 1.0 112.127 -178.412 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_exo -47.89 -29.75 12.24 Favored 'Trans proline' 0 C--N 1.354 0.832 0 C-N-CA 125.036 3.824 . . . . 1.0 116.505 -177.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -57.14 -23.73 49.32 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 114.773 1.397 . . . . 1.0 114.773 -177.444 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -70.28 -20.92 63.0 Favored 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 114.517 1.302 . . . . 1.0 114.517 177.063 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -136.37 -5.91 2.03 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 125.394 1.478 . . . . 1.0 113.788 -174.729 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 4.4 mt -55.49 132.04 47.52 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 120.597 -1.315 . . . . 1.0 109.876 169.145 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 87.9 mt -69.38 119.91 16.09 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.689 0 N-CA-C 109.007 -0.738 . . . . 1.0 109.007 175.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -139.78 156.53 70.85 Favored Pre-proline 0 CA--C 1.549 0.933 0 C-N-CA 126.094 1.758 . . . . 1.0 110.437 -169.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -53.63 -13.97 4.55 Favored 'Trans proline' 0 C--N 1.355 0.913 0 C-N-CA 124.821 3.681 . . . . 1.0 117.975 -179.523 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -58.57 -16.93 17.85 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 125.583 1.553 . . . . 1.0 113.363 169.276 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 96.0 mt -131.99 157.35 78.46 Favored Pre-proline 0 CA--C 1.549 0.918 0 C-N-CA 128.883 2.873 . . . . 1.0 109.974 176.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -62.61 125.15 15.51 Favored 'Trans proline' 0 CA--C 1.541 0.849 0 C-N-CA 122.869 2.379 . . . . 1.0 111.068 175.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -146.85 171.22 15.53 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.008 1.323 . . . . 1.0 112.777 -173.396 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 7.7 tp -79.64 50.87 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 126.499 1.92 . . . . 1.0 112.521 177.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 35.8 tp -70.13 -19.91 63.19 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 126.51 1.924 . . . . 1.0 113.108 176.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 . . . . . 0 C--O 1.253 1.256 0 C-N-CA 126.498 1.919 . . . . 1.0 114.684 179.836 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 98.6 mmm . . . . . 0 N--CA 1.498 1.945 0 CA-C-O 120.415 0.15 . . . . 1.0 110.848 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.6 t -150.99 167.17 28.44 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.13 1.372 . . . . 1.0 111.87 177.29 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 14.4 t -147.28 165.87 28.81 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 125.543 1.537 . . . . 1.0 112.028 179.544 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 18.7 m -140.34 156.2 69.85 Favored Pre-proline 0 N--CA 1.479 0.999 0 C-N-CA 125.964 1.705 . . . . 1.0 111.858 -177.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -53.53 161.17 4.38 Favored 'Trans proline' 0 C--N 1.352 0.753 0 C-N-CA 123.723 2.949 . . . . 1.0 115.26 171.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -109.95 -24.06 11.01 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 126.629 1.971 . . . . 1.0 112.212 175.2 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -138.11 150.94 47.32 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 125.314 1.446 . . . . 1.0 112.199 -177.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 60.8 ttp180 -143.41 116.36 8.84 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 126.287 1.835 . . . . 1.0 110.056 169.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -64.09 117.77 39.64 Favored Pre-proline 0 CA--C 1.548 0.899 0 C-N-CA 125.246 1.418 . . . . 1.0 111.061 174.672 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -70.92 -20.34 29.49 Favored 'Trans proline' 0 CA--C 1.542 0.88 0 C-N-CA 122.471 2.114 . . . . 1.0 113.674 -177.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -75.92 -32.01 59.39 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 113.652 0.982 . . . . 1.0 113.652 -177.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 51.7 p -133.21 -16.15 2.47 Favored 'General case' 0 N--CA 1.482 1.153 0 N-CA-C 115.063 1.505 . . . . 1.0 115.063 -173.122 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 86.5 1.66 85.59 Favored Glycine 0 CA--C 1.538 1.479 0 C-N-CA 124.508 1.051 . . . . 1.0 115.024 -178.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -59.17 149.33 28.49 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 125.242 1.417 . . . . 1.0 111.761 173.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 33.8 p -132.27 158.68 41.21 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.391 1.076 . . . . 1.0 113.16 -174.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 34.1 t90 -152.24 162.93 40.41 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.947 1.299 . . . . 1.0 111.194 177.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.6 m -133.38 15.8 4.09 Favored 'General case' 0 N--CA 1.48 1.048 0 N-CA-C 116.065 1.876 . . . . 1.0 116.065 -168.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 89.26 14.0 60.98 Favored Glycine 0 CA--C 1.538 1.504 0 N-CA-C 115.807 1.083 . . . . 1.0 115.807 172.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -135.03 151.9 51.22 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 125.233 1.413 . . . . 1.0 111.979 -177.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 70.01 -168.85 46.83 Favored Glycine 0 CA--C 1.54 1.64 0 C-N-CA 123.576 0.608 . . . . 1.0 113.143 -171.29 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 40.7 mmt180 -60.36 132.29 53.45 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.088 0.955 . . . . 1.0 111.596 177.008 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -66.91 134.58 94.02 Favored Pre-proline 0 CA--C 1.555 1.139 0 C-N-CA 123.917 0.887 . . . . 1.0 111.627 -179.505 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_exo -54.8 147.1 52.33 Favored 'Trans proline' 0 CA--C 1.541 0.849 0 C-N-CA 124.065 3.176 . . . . 1.0 114.944 175.197 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.83 -36.49 84.49 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 114.103 1.149 . . . . 1.0 114.103 -176.26 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 15.1 p-90 -64.76 -31.35 72.53 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.201 1.001 . . . . 1.0 113.188 176.252 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.1 tt -74.19 -31.73 62.77 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.812 1.245 . . . . 1.0 113.016 -170.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -70.36 47.29 0.69 Allowed Glycine 0 CA--C 1.539 1.574 0 C-N-CA 126.68 2.086 . . . . 1.0 117.53 -169.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 22.5 t30 -145.26 -49.92 0.24 Allowed 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.797 1.239 . . . . 1.0 112.9 174.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 16.4 p-10 -157.83 80.29 3.21 Favored Pre-proline 0 CA--C 1.553 1.075 0 C-N-CA 124.42 1.088 . . . . 1.0 112.606 -173.545 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -39.78 -38.61 1.86 Allowed 'Trans proline' 0 C--N 1.358 1.057 1 C-N-CA 126.307 4.671 . . . . 1.0 117.596 -175.07 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -58.56 -22.47 55.84 Favored 'General case' 0 CA--C 1.549 0.93 0 N-CA-C 114.715 1.376 . . . . 1.0 114.715 -179.271 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.6 -21.17 64.52 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 114.411 1.263 . . . . 1.0 114.411 176.57 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -138.47 -7.99 1.49 Allowed 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 114.426 1.269 . . . . 1.0 114.426 -172.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 7.0 mt -55.62 129.61 39.76 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 121.009 -1.057 . . . . 1.0 110.978 169.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 89.8 mt -75.23 131.67 34.6 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 N-CA-C 108.661 -0.866 . . . . 1.0 108.661 171.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 23.7 mm-40 -138.13 153.95 73.68 Favored Pre-proline 0 CA--C 1.552 1.039 0 C-N-CA 125.978 1.711 . . . . 1.0 110.18 -177.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -74.31 -21.71 17.23 Favored 'Trans proline' 0 CA--C 1.538 0.717 0 C-N-CA 122.759 2.306 . . . . 1.0 116.205 -169.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -166.8 -43.46 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 125.443 1.497 . . . . 1.0 113.297 175.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 22.6 tp -143.6 139.27 16.13 Favored Pre-proline 0 CA--C 1.549 0.942 0 C-N-CA 126.713 2.005 . . . . 1.0 109.73 178.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -52.58 138.51 58.0 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 123.14 2.56 . . . . 1.0 115.154 179.099 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -75.43 39.82 0.16 Allowed 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 125.92 1.688 . . . . 1.0 113.076 171.205 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 22.9 mt -138.88 66.26 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 127.653 2.381 . . . . 1.0 107.436 -172.001 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 20.3 tp -138.15 2.16 2.3 Favored 'General case' 0 CA--C 1.55 0.981 0 C-N-CA 124.992 1.317 . . . . 1.0 113.862 -169.459 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 . . . . . 0 C--O 1.252 1.223 0 C-N-CA 126.05 1.74 . . . . 1.0 112.214 -178.991 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 59.2 tpp . . . . . 0 N--CA 1.494 1.73 0 N-CA-C 110.344 -0.243 . . . . 1.0 110.344 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 50.5 m -142.59 158.85 43.24 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 125.069 1.347 . . . . 1.0 111.985 -174.289 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 45.6 p -138.77 163.94 30.89 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.351 1.461 . . . . 1.0 112.016 -178.385 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 16.1 m -140.49 154.81 69.79 Favored Pre-proline 0 N--CA 1.482 1.136 0 C-N-CA 125.776 1.63 . . . . 1.0 111.543 -178.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -68.89 163.97 35.38 Favored 'Trans proline' 0 CA--C 1.539 0.75 0 C-N-CA 122.85 2.367 . . . . 1.0 112.61 171.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 52.3 mtpt -119.86 -20.66 7.48 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 126.199 1.8 . . . . 1.0 112.92 174.067 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -141.01 143.05 34.2 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.055 0.942 . . . . 1.0 109.909 -174.122 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 53.0 ttt180 -145.77 119.09 8.95 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.427 1.091 . . . . 1.0 111.411 175.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -64.48 117.86 41.75 Favored Pre-proline 0 CA--C 1.546 0.814 0 C-N-CA 124.862 1.265 . . . . 1.0 111.486 174.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_endo -72.63 -19.87 23.93 Favored 'Trans proline' 0 CA--C 1.539 0.774 0 C-N-CA 122.505 2.137 . . . . 1.0 113.753 -178.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -75.08 -29.38 60.65 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.027 0.931 . . . . 1.0 113.481 -177.45 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 68.3 p -131.91 -20.53 2.5 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.979 1.312 . . . . 1.0 114.51 -175.157 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 91.78 -2.91 77.34 Favored Glycine 0 CA--C 1.537 1.461 0 C-N-CA 125.006 1.289 . . . . 1.0 115.03 -178.304 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 58.3 mtmt -61.35 148.77 40.32 Favored 'General case' 0 N--CA 1.482 1.135 0 CA-C-N 119.093 1.447 . . . . 1.0 112.495 178.504 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 23.5 p -126.7 158.14 37.23 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 125.184 1.394 . . . . 1.0 113.571 -170.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 28.7 t90 -150.59 164.38 36.17 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.307 1.443 . . . . 1.0 111.11 173.209 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 95.0 p -140.5 3.55 1.91 Allowed 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 116.604 2.075 . . . . 1.0 116.604 -169.26 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 106.73 -15.59 41.01 Favored Glycine 0 CA--C 1.537 1.456 0 CA-C-N 119.189 0.904 . . . . 1.0 114.679 -179.312 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 23.3 tpp180 -69.88 126.91 31.09 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 125.086 1.355 . . . . 1.0 111.358 177.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 70.78 -165.11 52.93 Favored Glycine 0 CA--C 1.539 1.58 0 C-N-CA 123.621 0.629 . . . . 1.0 113.888 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 83.2 mtm180 -66.87 155.37 38.56 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.869 0.868 . . . . 1.0 112.335 175.225 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 91.9 mt-30 -61.53 137.57 94.83 Favored Pre-proline 0 CA--C 1.551 1.011 0 C-N-CA 124.144 0.978 . . . . 1.0 111.864 177.13 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_exo -56.22 153.21 34.44 Favored 'Trans proline' 0 CA--C 1.536 0.585 0 C-N-CA 124.015 3.143 . . . . 1.0 114.032 171.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.71 -33.35 72.75 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 113.586 0.958 . . . . 1.0 113.586 177.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 47.8 p-90 -70.26 -25.1 63.2 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 113.878 1.066 . . . . 1.0 113.878 174.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 6.7 tp -72.97 -35.7 66.97 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 113.166 0.802 . . . . 1.0 113.166 -175.315 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 56.56 -154.62 16.37 Favored Glycine 0 CA--C 1.54 1.621 0 N-CA-C 115.072 0.789 . . . . 1.0 115.072 176.229 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -75.08 -17.0 60.54 Favored 'General case' 0 CA--C 1.55 0.971 0 N-CA-C 114.661 1.356 . . . . 1.0 114.661 -176.208 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -139.3 86.0 14.91 Favored Pre-proline 0 CA--C 1.55 0.964 0 C-N-CA 124.266 1.026 . . . . 1.0 112.919 -170.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -54.08 -17.09 10.51 Favored 'Trans proline' 0 CA--C 1.54 0.823 0 C-N-CA 125.0 3.8 . . . . 1.0 117.783 -179.278 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -55.95 -29.25 59.89 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 115.088 1.514 . . . . 1.0 115.088 -171.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.62 -19.41 63.63 Favored 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 114.714 1.375 . . . . 1.0 114.714 179.169 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -136.36 -2.89 2.2 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 125.369 1.468 . . . . 1.0 113.72 -173.518 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 3.0 mt -56.29 131.43 48.04 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.001 1.32 . . . . 1.0 111.296 169.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 80.2 mt -82.05 117.01 27.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 C-N-CA 124.213 1.005 . . . . 1.0 108.637 176.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -68.95 149.91 97.74 Favored Pre-proline 0 CA--C 1.55 0.954 0 C-N-CA 123.684 0.793 . . . . 1.0 111.993 178.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo -77.75 -12.93 16.37 Favored 'Trans proline' 0 CA--C 1.541 0.828 0 C-N-CA 123.105 2.537 . . . . 1.0 114.899 -177.423 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 23.8 t70 46.84 30.94 1.31 Allowed 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 126.836 2.054 . . . . 1.0 114.718 -173.539 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 15.6 tp -146.86 136.62 11.86 Favored Pre-proline 0 CA--C 1.549 0.937 0 C-N-CA 126.004 1.722 . . . . 1.0 110.185 -177.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -70.57 158.22 56.54 Favored 'Trans proline' 0 CA--C 1.537 0.655 0 C-N-CA 122.64 2.226 . . . . 1.0 112.537 177.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -104.32 30.47 5.27 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.137 1.375 . . . . 1.0 113.254 -178.573 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 18.7 pt -141.01 54.26 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 127.727 2.411 . . . . 1.0 110.097 -178.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 20.6 tp -130.62 1.24 4.46 Favored 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 125.828 1.651 . . . . 1.0 113.677 -169.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 . . . . . 0 C--O 1.253 1.261 0 C-N-CA 126.33 1.852 . . . . 1.0 112.327 -179.786 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 14.2 tpt . . . . . 0 N--CA 1.494 1.739 0 N-CA-C 110.7 -0.111 . . . . 1.0 110.7 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 27.1 m -62.35 156.0 23.6 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.897 1.279 . . . . 1.0 113.464 179.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 44.0 p -138.61 165.2 27.53 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 125.785 1.634 . . . . 1.0 111.899 179.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 17.0 m -140.18 154.36 69.99 Favored Pre-proline 0 N--CA 1.481 1.103 0 C-N-CA 125.455 1.502 . . . . 1.0 111.858 -178.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -65.9 164.14 28.28 Favored 'Trans proline' 0 C--N 1.351 0.672 0 C-N-CA 122.998 2.465 . . . . 1.0 113.699 174.342 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -102.88 -27.17 12.81 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 125.636 1.574 . . . . 1.0 113.112 177.389 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -142.29 149.14 39.13 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 119.36 0.982 . . . . 1.0 111.524 -175.077 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 52.2 ttt180 -144.93 115.21 7.54 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.899 0.88 . . . . 1.0 112.106 171.307 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -62.26 117.8 33.81 Favored Pre-proline 0 CA--C 1.548 0.879 0 C-N-CA 125.547 1.539 . . . . 1.0 112.163 179.448 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -71.22 -20.5 28.13 Favored 'Trans proline' 0 CA--C 1.541 0.826 0 C-N-CA 122.625 2.217 . . . . 1.0 113.887 -178.529 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -76.71 -31.9 57.49 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 113.636 0.976 . . . . 1.0 113.636 -177.277 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 49.6 p -133.09 -16.26 2.5 Favored 'General case' 0 N--CA 1.481 1.084 0 N-CA-C 115.054 1.501 . . . . 1.0 115.054 -174.096 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 90.69 -2.48 80.24 Favored Glycine 0 CA--C 1.536 1.39 0 C-N-CA 124.807 1.194 . . . . 1.0 115.226 179.483 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -58.72 149.25 26.76 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 125.898 1.679 . . . . 1.0 112.42 177.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 24.6 p -125.97 156.81 39.22 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 124.843 1.257 . . . . 1.0 113.04 -175.509 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 14.5 t90 -148.24 160.17 43.22 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.376 1.07 . . . . 1.0 111.553 171.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.1 m -138.72 16.01 2.7 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 116.101 1.889 . . . . 1.0 116.101 -168.431 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 83.07 19.8 62.15 Favored Glycine 0 CA--C 1.536 1.382 0 O-C-N 120.952 -1.092 . . . . 1.0 114.885 178.341 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -135.61 145.56 47.01 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 125.754 1.622 . . . . 1.0 111.592 -175.189 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 68.13 -170.95 36.7 Favored Glycine 0 CA--C 1.539 1.56 0 C-N-CA 123.843 0.735 . . . . 1.0 113.372 -173.638 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -59.54 134.06 56.67 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.943 0.897 . . . . 1.0 111.554 176.168 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -64.28 132.73 95.42 Favored Pre-proline 0 CA--C 1.549 0.923 0 C-N-CA 124.36 1.064 . . . . 1.0 111.023 178.229 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -75.11 153.8 41.53 Favored 'Trans proline' 0 CA--C 1.541 0.858 0 C-N-CA 122.572 2.181 . . . . 1.0 112.387 178.402 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.04 -34.62 76.58 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 114.51 1.3 . . . . 1.0 114.51 -172.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 64.2 p-90 -65.46 -21.45 66.64 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 113.732 1.012 . . . . 1.0 113.732 178.28 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.3 -21.75 63.84 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 114.26 1.207 . . . . 1.0 114.26 -178.413 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -63.99 -39.58 97.4 Favored Glycine 0 CA--C 1.53 0.973 0 N-CA-C 116.593 1.397 . . . . 1.0 116.593 -169.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -60.88 -51.31 69.84 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 113.467 0.914 . . . . 1.0 113.467 -170.116 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 50.6 t0 -164.94 90.2 0.99 Allowed Pre-proline 0 CA--C 1.548 0.867 0 C-N-CA 125.492 1.517 . . . . 1.0 109.342 177.253 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -57.66 -33.14 96.24 Favored 'Trans proline' 0 CA--C 1.538 0.679 0 C-N-CA 122.731 2.287 . . . . 1.0 114.544 -169.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -67.22 -20.02 65.63 Favored 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 114.471 1.286 . . . . 1.0 114.471 178.246 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -65.33 -27.49 68.64 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 114.049 1.129 . . . . 1.0 114.049 -176.206 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -132.72 17.51 4.28 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 126.058 1.743 . . . . 1.0 112.535 -175.263 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.8 tt -72.15 124.19 24.49 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.761 1.224 . . . . 1.0 109.554 170.027 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 64.2 mt -67.79 127.43 29.43 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.543 0 C-N-CA 125.371 1.468 . . . . 1.0 109.896 -178.287 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 -140.24 156.36 69.97 Favored Pre-proline 0 CA--C 1.547 0.865 0 C-N-CA 125.633 1.573 . . . . 1.0 111.106 -179.253 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -76.29 55.68 4.71 Favored 'Trans proline' 0 CA--C 1.551 1.354 0 C-N-CA 124.777 3.651 . . . . 1.0 113.146 -177.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -63.26 -19.76 64.85 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 125.464 1.506 . . . . 1.0 113.812 175.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -120.35 156.84 54.91 Favored Pre-proline 0 CA--C 1.551 0.992 0 C-N-CA 127.823 2.449 . . . . 1.0 109.871 171.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -47.32 132.78 19.53 Favored 'Trans proline' 0 C--N 1.354 0.835 0 C-N-CA 124.073 3.182 . . . . 1.0 114.738 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -150.4 173.82 13.59 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.545 1.538 . . . . 1.0 111.985 -174.601 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 8.1 tp -79.87 53.31 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 CA-C-O 124.019 1.866 . . . . 1.0 111.963 174.525 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -146.46 124.65 12.19 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 127.413 2.285 . . . . 1.0 109.684 -173.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 . . . . . 0 C--O 1.254 1.335 0 C-N-CA 125.928 1.691 . . . . 1.0 112.319 178.927 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.898 0 N-CA-C 111.404 0.15 . . . . 1.0 111.404 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 18.6 m -72.57 -23.54 60.98 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 114.375 1.25 . . . . 1.0 114.375 -175.199 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 13.8 t -146.35 166.52 26.09 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 125.502 1.521 . . . . 1.0 111.825 177.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 16.0 m -140.42 152.48 66.73 Favored Pre-proline 0 N--CA 1.479 0.993 0 C-N-CA 126.167 1.787 . . . . 1.0 111.616 -178.474 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -70.27 166.39 28.37 Favored 'Trans proline' 0 CA--C 1.54 0.805 0 C-N-CA 123.126 2.551 . . . . 1.0 113.113 175.38 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 58.2 tttp -125.38 -23.04 4.2 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 127.143 2.177 . . . . 1.0 112.226 175.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -139.41 148.46 42.83 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 125.389 1.476 . . . . 1.0 110.422 -176.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 60.3 ttp180 -144.85 116.17 8.01 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.858 1.663 . . . . 1.0 111.041 175.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -64.05 120.34 63.27 Favored Pre-proline 0 CA--C 1.549 0.928 0 C-N-CA 124.99 1.316 . . . . 1.0 111.518 176.38 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -71.81 -22.07 24.08 Favored 'Trans proline' 0 CA--C 1.542 0.896 0 C-N-CA 122.655 2.237 . . . . 1.0 114.246 -176.432 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -78.11 -28.29 48.54 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 113.827 1.047 . . . . 1.0 113.827 -177.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 68.8 p -132.56 -17.47 2.56 Favored 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 115.115 1.524 . . . . 1.0 115.115 -171.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 82.0 3.41 90.59 Favored Glycine 0 CA--C 1.54 1.594 0 C-N-CA 124.279 0.942 . . . . 1.0 114.759 -176.487 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -59.69 149.53 30.4 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-N 118.953 1.377 . . . . 1.0 111.391 173.014 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 33.2 p -132.55 158.83 41.16 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 124.219 1.008 . . . . 1.0 113.588 -174.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 23.2 t90 -147.94 165.55 30.35 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.151 1.38 . . . . 1.0 110.166 173.284 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 80.1 p -132.69 11.97 4.41 Favored 'General case' 0 N--CA 1.482 1.158 0 N-CA-C 117.242 2.312 . . . . 1.0 117.242 -168.444 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 89.78 8.56 67.28 Favored Glycine 0 CA--C 1.537 1.442 0 O-C-N 121.055 -1.028 . . . . 1.0 115.301 173.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 20.0 ptp180 -136.67 154.73 50.54 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 125.548 1.539 . . . . 1.0 112.921 -179.131 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 66.78 -172.42 28.77 Favored Glycine 0 CA--C 1.54 1.645 0 C-N-CA 123.507 0.575 . . . . 1.0 113.497 -169.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 78.0 ttt-85 -64.18 124.38 21.51 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.918 0.887 . . . . 1.0 111.165 175.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -61.13 149.35 82.49 Favored Pre-proline 0 CA--C 1.549 0.938 0 N-CA-C 113.119 0.785 . . . . 1.0 113.119 176.272 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -75.8 160.85 37.15 Favored 'Trans proline' 0 CA--C 1.539 0.752 0 C-N-CA 123.186 2.591 . . . . 1.0 112.071 173.551 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.2 -37.77 78.26 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 114.095 1.146 . . . . 1.0 114.095 -173.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 63.0 p-90 -64.27 -20.93 66.39 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 113.923 1.083 . . . . 1.0 113.923 178.174 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.15 -19.86 64.02 Favored 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 113.485 0.92 . . . . 1.0 113.485 176.523 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -82.23 46.2 3.48 Favored Glycine 0 CA--C 1.537 1.418 0 C-N-CA 125.541 1.543 . . . . 1.0 115.346 -169.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 45.4 t30 -144.81 -67.03 0.32 Allowed 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 118.315 1.058 . . . . 1.0 113.29 178.198 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -155.75 87.6 3.08 Favored Pre-proline 0 CA--C 1.545 0.762 0 C-N-CA 124.044 0.938 . . . . 1.0 111.591 -173.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.512 ' HA ' ' CE1' ' A' ' 103' ' ' PHE . 70.4 Cg_exo -41.92 -39.91 5.69 Favored 'Trans proline' 0 C--N 1.352 0.713 0 C-N-CA 125.1 3.867 . . . . 1.0 116.988 -175.6 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.35 -21.52 66.32 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 114.694 1.368 . . . . 1.0 114.694 -178.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.8 -23.08 63.28 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 113.895 1.072 . . . . 1.0 113.895 177.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.512 ' CE1' ' HA ' ' A' ' 100' ' ' PRO . 4.6 p90 -136.83 -0.73 2.29 Favored 'General case' 0 N--CA 1.474 0.775 0 N-CA-C 114.536 1.31 . . . . 1.0 114.536 -174.214 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 5.8 mt -57.78 137.45 56.55 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 120.563 -1.336 . . . . 1.0 110.293 169.052 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.3 mt -69.29 119.4 15.14 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 N-CA-C 107.307 -1.368 . . . . 1.0 107.307 169.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -142.4 154.48 63.81 Favored Pre-proline 0 CA--C 1.543 0.688 0 C-N-CA 124.812 1.245 . . . . 1.0 113.158 -169.058 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -77.75 44.9 1.64 Allowed 'Trans proline' 0 CA--C 1.549 1.238 0 C-N-CA 124.935 3.757 . . . . 1.0 113.72 -179.118 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -54.74 -24.56 22.89 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 124.847 1.259 . . . . 1.0 113.418 169.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -121.6 145.84 43.9 Favored Pre-proline 0 CA--C 1.548 0.876 0 C-N-CA 128.148 2.579 . . . . 1.0 108.234 169.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -68.29 151.55 76.38 Favored 'Trans proline' 0 CA--C 1.539 0.767 0 C-N-CA 122.792 2.328 . . . . 1.0 113.51 -173.191 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -137.67 36.03 2.43 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.57 1.548 . . . . 1.0 111.632 174.271 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 20.2 pt -136.54 55.91 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 C-N-CA 126.737 2.015 . . . . 1.0 111.143 -172.319 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -144.42 125.69 14.71 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 126.323 1.849 . . . . 1.0 109.684 -173.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 . . . . . 0 C--O 1.256 1.435 0 C-N-CA 126.201 1.8 . . . . 1.0 112.671 -177.303 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 14.0 tpt . . . . . 0 N--CA 1.495 1.822 0 N-CA-C 110.764 -0.087 . . . . 1.0 110.764 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 61.9 p -65.03 -29.85 70.78 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 115.093 1.516 . . . . 1.0 115.093 -175.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 43.9 p -140.25 165.88 26.19 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 125.821 1.648 . . . . 1.0 112.284 177.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 18.0 m -140.26 156.63 69.84 Favored Pre-proline 0 N--CA 1.48 1.031 0 C-N-CA 125.571 1.549 . . . . 1.0 111.04 176.636 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -51.1 153.45 9.11 Favored 'Trans proline' 0 CA--C 1.543 0.947 0 C-N-CA 123.617 2.878 . . . . 1.0 114.919 173.201 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -126.08 -32.58 2.74 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 126.222 1.809 . . . . 1.0 112.875 174.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -135.38 149.45 49.67 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.771 1.228 . . . . 1.0 110.953 -175.178 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 53.4 ttt180 -146.15 116.74 7.58 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.418 1.087 . . . . 1.0 111.892 173.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -64.03 119.97 59.96 Favored Pre-proline 0 CA--C 1.548 0.888 0 C-N-CA 125.5 1.52 . . . . 1.0 111.855 178.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -72.2 -22.29 22.49 Favored 'Trans proline' 0 CA--C 1.542 0.889 0 C-N-CA 122.696 2.264 . . . . 1.0 114.04 -178.108 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -75.53 -30.61 59.82 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 113.812 1.041 . . . . 1.0 113.812 -177.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 55.1 p -132.36 -16.29 2.75 Favored 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 114.812 1.412 . . . . 1.0 114.812 -173.491 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 88.09 -2.09 85.2 Favored Glycine 0 CA--C 1.537 1.441 0 C-N-CA 124.818 1.199 . . . . 1.0 115.022 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -59.8 148.79 33.24 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 125.597 1.559 . . . . 1.0 112.296 178.109 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 24.4 p -124.65 158.8 32.26 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 125.085 1.354 . . . . 1.0 113.125 -174.335 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 17.0 t90 -147.57 159.8 43.35 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.654 1.182 . . . . 1.0 111.495 170.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 78.0 p -136.79 8.81 3.05 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 117.003 2.224 . . . . 1.0 117.003 -168.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 98.34 7.6 55.8 Favored Glycine 0 CA--C 1.537 1.465 0 N-CA-C 115.968 1.147 . . . . 1.0 115.968 173.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -134.59 159.35 41.46 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 125.503 1.521 . . . . 1.0 112.352 -178.427 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 71.42 -171.99 45.8 Favored Glycine 0 CA--C 1.538 1.53 0 C-N-CA 123.613 0.625 . . . . 1.0 113.046 -171.093 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 94.5 mtt-85 -62.59 143.66 57.02 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.728 0.811 . . . . 1.0 111.555 175.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -63.52 132.45 95.17 Favored Pre-proline 0 CA--C 1.548 0.899 0 C-N-CA 123.843 0.857 . . . . 1.0 111.59 179.027 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_exo -60.44 149.67 85.09 Favored 'Trans proline' 0 C--N 1.351 0.671 0 C-N-CA 122.686 2.257 . . . . 1.0 112.402 169.474 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.71 -42.84 94.99 Favored 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 112.74 0.644 . . . . 1.0 112.74 177.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 65.5 p-90 -61.38 -24.45 66.5 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 113.61 0.967 . . . . 1.0 113.61 176.302 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.05 -19.0 65.78 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 113.735 1.013 . . . . 1.0 113.735 177.099 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -70.48 -33.53 67.84 Favored Glycine 0 CA--C 1.531 1.044 0 C-N-CA 124.457 1.027 . . . . 1.0 115.329 -175.037 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -61.48 -58.14 9.36 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.704 1.202 . . . . 1.0 113.454 -170.288 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 38.4 t0 -165.11 89.69 0.97 Allowed Pre-proline 0 CA--C 1.548 0.88 0 C-N-CA 124.957 1.303 . . . . 1.0 110.957 179.305 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_exo -43.09 -36.39 5.66 Favored 'Trans proline' 0 CA--C 1.54 0.798 0 C-N-CA 124.778 3.652 . . . . 1.0 117.156 -176.313 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.93 -25.18 66.23 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 114.658 1.355 . . . . 1.0 114.658 178.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.9 -24.23 63.36 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 114.353 1.242 . . . . 1.0 114.353 -174.447 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 2.2 p90 -133.04 12.77 4.29 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.091 1.356 . . . . 1.0 113.944 -172.172 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 7.1 mt -64.13 132.37 50.26 Favored 'General case' 0 N--CA 1.472 0.675 0 O-C-N 120.787 -1.195 . . . . 1.0 109.47 169.052 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 78.0 mt -68.08 113.62 4.11 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 C-N-CA 123.821 0.848 . . . . 1.0 108.939 176.079 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 89.0 mm-40 -71.45 151.7 94.0 Favored Pre-proline 0 CA--C 1.551 0.991 0 C-N-CA 123.813 0.845 . . . . 1.0 112.679 -171.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_endo -80.72 -1.79 11.47 Favored 'Trans proline' 0 CA--C 1.545 1.074 0 C-N-CA 123.712 2.942 . . . . 1.0 114.908 -178.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 24.5 t70 49.79 34.04 7.08 Favored 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 126.082 1.753 . . . . 1.0 113.818 -170.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 71.0 mt -140.53 155.89 69.58 Favored Pre-proline 0 CA--C 1.547 0.863 0 C-N-CA 127.047 2.139 . . . . 1.0 110.899 -178.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -68.72 157.5 61.59 Favored 'Trans proline' 0 CA--C 1.538 0.722 0 C-N-CA 123.058 2.505 . . . . 1.0 112.854 176.044 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -144.77 157.78 44.04 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.74 1.616 . . . . 1.0 111.391 177.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . 0.302 7.1 tp 31.09 57.16 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 C-N-CA 127.511 2.324 . . . . 1.0 114.368 -173.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 31.3 tp -75.09 -21.19 59.09 Favored 'General case' 0 CA--C 1.548 0.89 0 CA-C-N 113.723 -1.581 . . . . 1.0 113.367 -175.186 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 . . . . . 0 C--O 1.255 1.394 0 C-N-CA 126.356 1.862 . . . . 1.0 114.355 179.266 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.495 1.81 0 N-CA-C 110.35 -0.241 . . . . 1.0 110.35 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 17.2 m -62.46 -18.16 61.14 Favored 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 116.447 2.017 . . . . 1.0 116.447 -171.346 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 15.1 t -141.38 166.16 25.52 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.858 1.263 . . . . 1.0 112.599 175.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 23.1 m -67.4 154.51 92.86 Favored Pre-proline 0 CA--C 1.546 0.816 0 C-N-CA 125.524 1.529 . . . . 1.0 112.734 179.58 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_endo -68.36 163.8 35.05 Favored 'Trans proline' 0 CA--C 1.539 0.756 0 C-N-CA 122.623 2.215 . . . . 1.0 112.192 170.013 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 64.9 mttm -120.14 -27.92 5.2 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 126.213 1.805 . . . . 1.0 113.036 176.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -138.0 145.43 41.89 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 123.899 0.879 . . . . 1.0 110.791 -173.117 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 66.4 ttt-85 -143.75 115.23 8.08 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.748 1.219 . . . . 1.0 111.701 174.587 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -63.96 118.49 46.29 Favored Pre-proline 0 CA--C 1.549 0.941 0 C-N-CA 125.237 1.415 . . . . 1.0 111.58 177.215 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_endo -71.02 -21.35 27.77 Favored 'Trans proline' 0 CA--C 1.541 0.837 0 C-N-CA 122.572 2.181 . . . . 1.0 114.029 -179.116 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -75.46 -31.21 60.19 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 113.7 1.0 . . . . 1.0 113.7 -177.392 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 63.4 p -133.33 -16.25 2.43 Favored 'General case' 0 N--CA 1.481 1.099 0 N-CA-C 114.876 1.436 . . . . 1.0 114.876 -173.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 87.19 0.23 85.27 Favored Glycine 0 CA--C 1.537 1.435 0 C-N-CA 124.492 1.044 . . . . 1.0 115.177 -178.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -58.88 149.21 27.55 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 125.338 1.455 . . . . 1.0 112.188 175.345 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 31.2 p -130.94 158.61 39.77 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.503 1.121 . . . . 1.0 113.564 -174.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . 0.401 ' CH2' ' HA2' ' A' ' 88' ' ' GLY . 21.4 t90 -148.31 164.24 34.64 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.964 1.306 . . . . 1.0 110.795 173.209 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 85.0 p -136.62 12.22 3.19 Favored 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 116.65 2.093 . . . . 1.0 116.65 -168.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.401 ' HA2' ' CH2' ' A' ' 86' ' ' TRP . . . 81.83 24.4 55.68 Favored Glycine 0 N--CA 1.475 1.239 0 O-C-N 120.912 -1.117 . . . . 1.0 114.261 178.493 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -127.29 139.67 52.73 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 126.315 1.846 . . . . 1.0 110.434 -178.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 66.81 -165.52 41.34 Favored Glycine 0 CA--C 1.538 1.521 0 C-N-CA 123.138 0.399 . . . . 1.0 112.657 -169.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 28.6 mmt85 -69.91 148.26 49.22 Favored 'General case' 0 N--CA 1.48 1.055 0 O-C-N 121.733 -0.863 . . . . 1.0 111.227 170.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -60.89 152.05 71.24 Favored Pre-proline 0 CA--C 1.549 0.931 0 N-CA-C 112.953 0.723 . . . . 1.0 112.953 174.723 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -74.33 161.37 40.48 Favored 'Trans proline' 0 CA--C 1.542 0.905 0 C-N-CA 122.749 2.299 . . . . 1.0 111.827 170.352 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.54 -33.77 73.16 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 114.206 1.187 . . . . 1.0 114.206 -176.052 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 61.6 p-90 -69.51 -16.12 63.38 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 114.136 1.161 . . . . 1.0 114.136 177.482 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.6 tp -69.19 -19.3 63.98 Favored 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 114.4 1.259 . . . . 1.0 114.4 -176.089 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 52.48 -135.92 36.65 Favored Glycine 0 CA--C 1.537 1.453 0 C-N-CA 124.461 1.029 . . . . 1.0 113.999 177.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 31.5 p-10 -128.21 9.76 6.23 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 125.575 1.55 . . . . 1.0 114.072 179.616 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -147.67 78.9 9.71 Favored Pre-proline 0 CA--C 1.55 0.95 0 C-N-CA 125.269 1.428 . . . . 1.0 110.578 177.039 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_exo -62.88 -8.41 13.63 Favored 'Trans proline' 0 CA--C 1.539 0.761 0 C-N-CA 123.679 2.919 . . . . 1.0 118.376 -169.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -59.0 -23.29 61.76 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 114.867 1.432 . . . . 1.0 114.867 -173.15 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.16 -25.09 68.19 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 114.327 1.232 . . . . 1.0 114.327 175.552 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -136.98 5.3 2.81 Favored 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 114.561 1.319 . . . . 1.0 114.561 -174.849 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 5.5 mt -59.27 123.55 17.07 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 120.833 -1.167 . . . . 1.0 110.422 169.4 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 74.7 mt -67.44 127.82 29.68 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 C-N-CA 124.048 0.939 . . . . 1.0 109.185 177.009 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -147.14 148.82 33.31 Favored Pre-proline 0 CA--C 1.545 0.771 0 C-N-CA 125.389 1.476 . . . . 1.0 110.925 -174.021 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -72.12 140.47 34.4 Favored 'Trans proline' 0 CA--C 1.54 0.795 0 C-N-CA 122.418 2.078 . . . . 1.0 112.379 -174.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -65.94 -19.15 65.77 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.186 1.394 . . . . 1.0 114.641 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 86.6 mt -139.91 159.67 63.69 Favored Pre-proline 0 CA--C 1.548 0.882 0 C-N-CA 127.53 2.332 . . . . 1.0 111.257 -176.215 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -73.9 70.82 4.31 Favored 'Trans proline' 0 CA--C 1.54 0.783 0 C-N-CA 124.462 3.441 . . . . 1.0 112.657 176.416 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -52.55 115.48 1.8 Allowed 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.839 1.656 . . . . 1.0 111.299 179.042 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . 0.336 6.9 tp 34.85 49.47 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 127.433 2.293 . . . . 1.0 115.096 -169.631 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 68.7 mt -135.86 8.07 3.25 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 127.245 2.218 . . . . 1.0 112.691 176.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 . . . . . 0 C--O 1.253 1.285 0 C-N-CA 126.462 1.905 . . . . 1.0 112.156 178.639 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 26.8 ptt? . . . . . 0 N--CA 1.498 1.942 0 N-CA-C 111.94 0.348 . . . . 1.0 111.94 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.9 t -152.09 175.48 12.52 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 125.222 1.409 . . . . 1.0 111.535 178.179 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 15.1 t -142.68 166.08 25.63 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 125.649 1.58 . . . . 1.0 112.269 177.319 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 24.8 m -65.89 149.05 97.96 Favored Pre-proline 0 N--CA 1.477 0.88 0 C-N-CA 124.722 1.209 . . . . 1.0 112.306 178.394 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_endo -69.63 161.47 45.77 Favored 'Trans proline' 0 CA--C 1.535 0.555 0 C-N-CA 122.908 2.405 . . . . 1.0 112.748 176.518 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 30.8 mtpp -122.06 -21.4 5.97 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 125.707 1.603 . . . . 1.0 112.884 176.338 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 76.9 m-85 -139.22 147.67 42.06 Favored 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 124.67 1.188 . . . . 1.0 111.638 -177.48 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 51.4 ttt180 -144.37 118.26 9.35 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 125.087 1.355 . . . . 1.0 111.299 169.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -63.57 119.12 51.01 Favored Pre-proline 0 CA--C 1.548 0.903 0 C-N-CA 125.347 1.459 . . . . 1.0 111.303 176.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -70.48 -20.9 30.84 Favored 'Trans proline' 0 CA--C 1.542 0.878 0 C-N-CA 122.456 2.104 . . . . 1.0 113.972 -179.357 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -76.16 -32.58 59.15 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 113.751 1.019 . . . . 1.0 113.751 -177.024 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 52.3 p -131.95 -15.32 3.01 Favored 'General case' 0 N--CA 1.483 1.214 0 N-CA-C 114.879 1.437 . . . . 1.0 114.879 -174.072 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 87.06 -0.77 86.3 Favored Glycine 0 CA--C 1.536 1.403 0 C-N-CA 124.744 1.164 . . . . 1.0 115.177 -179.322 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -60.2 149.45 32.99 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 125.832 1.653 . . . . 1.0 112.118 176.515 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 25.1 p -125.72 159.44 32.3 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 124.706 1.202 . . . . 1.0 113.573 -173.258 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 31.5 t90 -150.32 163.5 38.16 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.842 1.257 . . . . 1.0 111.289 172.256 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.7 m -136.41 20.77 3.16 Favored 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 115.995 1.85 . . . . 1.0 115.995 -168.4 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 80.61 20.17 66.78 Favored Glycine 0 CA--C 1.538 1.497 0 O-C-N 121.19 -0.943 . . . . 1.0 115.258 173.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -133.52 145.42 50.13 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 125.439 1.496 . . . . 1.0 111.588 -176.54 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 65.89 -166.62 35.86 Favored Glycine 0 CA--C 1.54 1.618 0 C-N-CA 123.372 0.511 . . . . 1.0 112.591 -169.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 94.7 mtt-85 -66.92 135.19 53.45 Favored 'General case' 0 N--CA 1.478 0.926 0 O-C-N 121.671 -0.899 . . . . 1.0 111.02 172.045 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -61.43 148.8 85.27 Favored Pre-proline 0 CA--C 1.55 0.964 0 C-N-CA 123.129 0.572 . . . . 1.0 112.328 174.085 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -72.62 156.82 53.32 Favored 'Trans proline' 0 CA--C 1.539 0.774 0 C-N-CA 123.183 2.589 . . . . 1.0 112.445 175.148 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.15 -34.34 71.97 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 115.101 1.519 . . . . 1.0 115.101 -169.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 23.9 p-90 -64.08 -30.5 71.56 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 113.573 0.953 . . . . 1.0 113.573 178.015 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.7 tt -68.61 -29.91 68.53 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.551 1.141 . . . . 1.0 113.559 -171.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -74.56 47.92 1.83 Allowed Glycine 0 CA--C 1.536 1.403 0 C-N-CA 126.335 1.921 . . . . 1.0 116.384 -170.3 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 46.1 t30 -143.35 -54.16 0.38 Allowed 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.713 1.205 . . . . 1.0 112.699 176.301 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -158.65 89.54 2.17 Favored Pre-proline 0 CA--C 1.55 0.946 0 C-N-CA 124.46 1.104 . . . . 1.0 111.483 -177.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_exo -40.81 -39.84 3.31 Favored 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 125.262 3.975 . . . . 1.0 116.347 -178.571 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -61.39 -19.92 62.45 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 114.805 1.409 . . . . 1.0 114.805 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.43 -20.95 64.68 Favored 'General case' 0 CA--C 1.549 0.928 0 N-CA-C 113.917 1.08 . . . . 1.0 113.917 175.087 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -142.16 -6.32 0.95 Allowed 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 114.93 1.456 . . . . 1.0 114.93 -172.504 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 9.0 mt -56.13 130.02 42.47 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 119.802 1.183 . . . . 1.0 111.542 169.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 69.4 mt -77.82 134.47 28.3 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 C-N-CA 123.989 0.916 . . . . 1.0 108.548 170.544 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -140.58 152.44 66.22 Favored Pre-proline 0 CA--C 1.544 0.734 0 C-N-CA 125.255 1.422 . . . . 1.0 111.407 177.39 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -69.1 154.87 69.65 Favored 'Trans proline' 0 CA--C 1.538 0.701 0 C-N-CA 122.639 2.226 . . . . 1.0 112.742 -179.439 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -59.29 -23.64 62.59 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 125.577 1.551 . . . . 1.0 114.833 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 82.6 mt -137.35 149.62 66.19 Favored Pre-proline 0 CA--C 1.546 0.795 0 C-N-CA 127.458 2.303 . . . . 1.0 110.708 176.064 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -67.99 145.04 66.38 Favored 'Trans proline' 0 CA--C 1.54 0.813 0 C-N-CA 122.933 2.422 . . . . 1.0 112.84 -175.113 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -66.91 153.96 42.21 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 123.758 0.823 . . . . 1.0 112.523 174.206 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . 0.303 7.3 tp 32.49 55.66 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 127.599 2.36 . . . . 1.0 115.061 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 54.4 tp -68.4 -35.19 77.31 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 114.141 -1.39 . . . . 1.0 112.905 -178.666 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 . . . . . 0 C--O 1.255 1.378 0 C-N-CA 126.393 1.877 . . . . 1.0 113.486 -179.808 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 55.3 tttp . . . . . 0 N--CA 1.476 0.843 0 N-CA-C 112.983 0.735 . . . . 1.0 112.983 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 -137.68 150.71 47.57 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.735 1.214 . . . . 1.0 111.139 -177.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 56.6 ttt180 -145.11 116.21 7.89 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.531 1.132 . . . . 1.0 112.075 174.295 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -63.78 119.09 51.44 Favored Pre-proline 0 CA--C 1.549 0.913 0 C-N-CA 125.664 1.586 . . . . 1.0 111.867 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -72.04 -20.98 24.68 Favored 'Trans proline' 0 CA--C 1.541 0.837 0 C-N-CA 122.697 2.264 . . . . 1.0 114.003 -178.119 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -75.78 -30.92 59.27 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 113.704 1.001 . . . . 1.0 113.704 -177.698 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 57.4 p -131.86 -17.12 2.84 Favored 'General case' 0 N--CA 1.483 1.183 0 N-CA-C 114.839 1.422 . . . . 1.0 114.839 -174.043 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 89.23 -2.13 83.22 Favored Glycine 0 CA--C 1.537 1.443 0 C-N-CA 124.763 1.173 . . . . 1.0 115.125 -179.131 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -60.73 149.24 36.09 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.677 1.591 . . . . 1.0 112.626 178.579 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 23.6 p -123.72 157.7 33.34 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 124.974 1.31 . . . . 1.0 113.089 -174.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 25.4 t90 -149.54 163.63 37.29 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.751 1.221 . . . . 1.0 110.862 171.647 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.1 m . . . . . 0 N--CA 1.481 1.105 0 N-CA-C 116.373 1.99 . . . . 1.0 116.373 -168.291 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 1.2 p90 . . . . . 0 CA--C 1.55 0.975 0 N-CA-C 113.765 1.024 . . . . 1.0 113.765 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 9.7 mt . . . . . 0 N--CA 1.473 0.682 0 O-C-N 120.826 -1.171 . . . . 1.0 111.284 169.567 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 56.8 tttp . . . . . 0 N--CA 1.478 0.957 0 N-CA-C 112.605 0.594 . . . . 1.0 112.605 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -138.93 146.45 41.05 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 125.1 1.36 . . . . 1.0 110.4 -176.442 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 50.8 ttt180 -145.07 121.98 11.31 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 124.752 1.221 . . . . 1.0 111.746 172.018 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -64.05 117.9 40.72 Favored Pre-proline 0 CA--C 1.546 0.812 0 C-N-CA 125.477 1.511 . . . . 1.0 111.277 175.019 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_endo -72.63 -20.35 23.35 Favored 'Trans proline' 0 CA--C 1.543 0.927 0 C-N-CA 122.663 2.242 . . . . 1.0 113.839 -179.425 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -74.06 -37.93 64.11 Favored 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 113.403 0.89 . . . . 1.0 113.403 -176.29 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 55.5 p -134.64 -10.63 2.41 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 114.874 1.435 . . . . 1.0 114.874 -173.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 94.56 0.24 64.89 Favored Glycine 0 CA--C 1.536 1.348 0 CA-C-O 118.482 -1.176 . . . . 1.0 115.646 172.598 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 47.9 mttp -57.58 147.52 26.86 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 125.298 1.439 . . . . 1.0 112.251 178.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 21.8 p -126.93 156.12 42.01 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 124.659 1.184 . . . . 1.0 113.187 -175.643 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 26.1 t90 -152.12 165.71 33.92 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.142 1.377 . . . . 1.0 111.179 171.56 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.6 m . . . . . 0 N--CA 1.482 1.152 0 N-CA-C 116.968 2.21 . . . . 1.0 116.968 -168.351 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.92 0 N-CA-C 114.408 1.262 . . . . 1.0 114.408 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 4.8 mt . . . . . 0 N--CA 1.47 0.543 0 O-C-N 120.842 -1.161 . . . . 1.0 110.039 169.567 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 82.4 tttt . . . . . 0 N--CA 1.479 1.02 0 N-CA-C 112.831 0.678 . . . . 1.0 112.831 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -139.71 151.62 46.02 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 125.024 1.329 . . . . 1.0 111.044 -176.787 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 57.2 ttm-85 -142.25 120.31 12.12 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.602 1.561 . . . . 1.0 111.032 170.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -64.06 118.9 50.59 Favored Pre-proline 0 CA--C 1.547 0.857 0 C-N-CA 125.266 1.426 . . . . 1.0 111.299 174.355 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -71.05 -21.21 27.85 Favored 'Trans proline' 0 CA--C 1.54 0.791 0 C-N-CA 122.406 2.071 . . . . 1.0 113.98 -178.083 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -74.88 -29.56 61.04 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 113.637 0.977 . . . . 1.0 113.637 -177.631 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 62.5 p -131.39 -17.61 2.95 Favored 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 115.044 1.498 . . . . 1.0 115.044 -175.104 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 87.89 -3.95 85.8 Favored Glycine 0 CA--C 1.537 1.416 0 C-N-CA 125.208 1.385 . . . . 1.0 114.827 -177.749 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -61.0 150.24 34.17 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 126.133 1.773 . . . . 1.0 112.409 177.553 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 31.5 p -124.26 161.7 25.26 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 124.683 1.193 . . . . 1.0 113.866 -172.669 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 22.1 t90 -147.44 166.24 27.81 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.246 1.418 . . . . 1.0 110.661 170.633 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 83.8 p . . . . . 0 N--CA 1.478 0.937 0 N-CA-C 117.783 2.512 . . . . 1.0 117.783 -168.513 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 3.7 p90 . . . . . 0 CA--C 1.544 0.719 0 N-CA-C 114.602 1.334 . . . . 1.0 114.602 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 7.6 mt . . . . . 0 N--CA 1.475 0.812 0 O-C-N 120.442 -1.411 . . . . 1.0 109.647 168.753 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 61.0 mttp . . . . . 0 N--CA 1.475 0.789 0 N-CA-C 112.942 0.719 . . . . 1.0 112.942 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -138.79 150.73 46.4 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 119.08 0.855 . . . . 1.0 111.988 -171.009 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 60.3 ttp180 -143.56 112.19 6.47 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.659 1.584 . . . . 1.0 110.528 174.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -63.41 118.52 44.68 Favored Pre-proline 0 CA--C 1.547 0.85 0 C-N-CA 125.036 1.335 . . . . 1.0 111.62 177.646 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -72.01 -20.07 25.85 Favored 'Trans proline' 0 CA--C 1.542 0.902 0 C-N-CA 122.555 2.17 . . . . 1.0 113.958 -175.797 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -79.1 -26.02 42.97 Favored 'General case' 0 CA--C 1.549 0.91 0 N-CA-C 113.764 1.024 . . . . 1.0 113.764 -178.387 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 71.8 p -134.33 -20.87 1.84 Allowed 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 115.195 1.554 . . . . 1.0 115.195 -173.128 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 86.48 0.03 86.68 Favored Glycine 0 CA--C 1.541 1.669 0 C-N-CA 124.64 1.114 . . . . 1.0 114.819 -175.068 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 57.8 mtmt -59.24 149.24 29.08 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-N 119.093 1.446 . . . . 1.0 111.97 174.305 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 36.5 p -132.27 159.34 39.37 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 124.31 1.044 . . . . 1.0 113.282 -174.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 23.3 t90 -151.07 160.76 43.7 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.149 0.979 . . . . 1.0 111.807 175.471 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 91.9 p . . . . . 0 N--CA 1.48 1.055 0 N-CA-C 115.912 1.819 . . . . 1.0 115.912 -169.416 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 1.8 p90 . . . . . 0 CA--C 1.548 0.875 0 N-CA-C 112.316 0.488 . . . . 1.0 112.316 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.9 tt . . . . . 0 CA--C 1.54 0.574 0 C-N-CA 124.548 1.139 . . . . 1.0 108.544 169.549 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 84.4 tttt . . . . . 0 N--CA 1.475 0.822 0 N-CA-C 112.24 0.459 . . . . 1.0 112.24 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -145.11 145.59 31.47 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.908 1.283 . . . . 1.0 110.268 -178.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 52.2 ttt180 -146.69 119.74 8.81 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.475 1.11 . . . . 1.0 111.797 173.187 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -64.51 118.43 47.45 Favored Pre-proline 0 CA--C 1.547 0.86 0 C-N-CA 124.963 1.305 . . . . 1.0 111.676 175.566 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_endo -72.86 -20.55 22.28 Favored 'Trans proline' 0 CA--C 1.539 0.773 0 C-N-CA 122.574 2.183 . . . . 1.0 113.973 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -74.57 -33.0 62.58 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 113.561 0.949 . . . . 1.0 113.561 -176.751 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 49.5 p -131.39 -14.89 3.27 Favored 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 114.762 1.393 . . . . 1.0 114.762 -175.775 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 91.69 -2.01 76.2 Favored Glycine 0 CA--C 1.537 1.419 0 C-N-CA 125.034 1.302 . . . . 1.0 115.328 177.771 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -59.59 147.21 37.99 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 125.625 1.57 . . . . 1.0 112.535 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 22.8 p -126.88 155.59 42.75 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 125.093 1.357 . . . . 1.0 113.167 -172.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 26.9 t90 -152.4 165.02 36.32 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.061 1.344 . . . . 1.0 110.907 172.517 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 91.4 p . . . . . 0 N--CA 1.48 1.044 0 N-CA-C 116.965 2.209 . . . . 1.0 116.965 -169.458 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.546 0.814 0 N-CA-C 114.487 1.291 . . . . 1.0 114.487 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 3.3 mt . . . . . 0 CA--C 1.543 0.704 0 C-N-CA 125.518 1.527 . . . . 1.0 113.498 170.064 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 23.8 ttmm . . . . . 0 N--CA 1.479 0.998 0 N-CA-C 112.38 0.511 . . . . 1.0 112.38 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -140.41 147.23 39.41 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.74 1.216 . . . . 1.0 110.284 179.069 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 60.7 ttp180 -144.5 110.34 5.36 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.499 1.12 . . . . 1.0 111.164 177.438 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -59.99 115.92 15.02 Favored Pre-proline 0 CA--C 1.546 0.802 0 C-N-CA 125.54 1.536 . . . . 1.0 111.732 177.706 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -71.37 -19.24 29.12 Favored 'Trans proline' 0 CA--C 1.541 0.868 0 C-N-CA 122.409 2.073 . . . . 1.0 113.677 -177.499 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -77.37 -33.4 55.23 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 113.717 1.006 . . . . 1.0 113.717 -177.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 48.7 p -134.92 -14.2 2.11 Favored 'General case' 0 N--CA 1.482 1.15 0 N-CA-C 115.383 1.623 . . . . 1.0 115.383 -172.606 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 88.4 2.25 80.03 Favored Glycine 0 CA--C 1.539 1.538 0 C-N-CA 124.445 1.021 . . . . 1.0 115.242 179.184 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -59.61 149.52 30.05 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 125.417 1.487 . . . . 1.0 112.052 175.06 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 37.5 p -135.86 159.91 40.22 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 113.976 1.102 . . . . 1.0 113.976 -175.14 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 22.8 t90 -150.88 164.63 35.84 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.543 1.537 . . . . 1.0 110.15 171.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 88.1 p . . . . . 0 N--CA 1.481 1.121 0 N-CA-C 117.873 2.546 . . . . 1.0 117.873 -169.051 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.549 0.931 0 N-CA-C 112.68 0.622 . . . . 1.0 112.68 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 3.0 tt . . . . . 0 CA--C 1.543 0.693 0 C-N-CA 124.965 1.306 . . . . 1.0 109.982 172.71 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 82.8 tttt . . . . . 0 N--CA 1.479 0.999 0 N-CA-C 112.629 0.603 . . . . 1.0 112.629 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 -140.63 148.03 40.26 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 124.744 1.218 . . . . 1.0 110.429 -179.368 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 51.2 ttt180 -144.52 118.82 9.56 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 123.697 0.799 . . . . 1.0 111.822 172.565 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -61.27 117.72 29.49 Favored Pre-proline 0 CA--C 1.546 0.8 0 C-N-CA 125.922 1.689 . . . . 1.0 111.848 178.176 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -72.3 -19.83 25.11 Favored 'Trans proline' 0 CA--C 1.542 0.875 0 C-N-CA 122.533 2.155 . . . . 1.0 113.877 -177.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -74.8 -38.36 62.11 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 113.593 0.96 . . . . 1.0 113.593 -177.226 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 56.2 p -136.44 -10.59 1.9 Allowed 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 115.216 1.561 . . . . 1.0 115.216 -173.32 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 94.4 1.66 64.22 Favored Glycine 0 CA--C 1.535 1.302 0 CA-C-O 118.64 -1.089 . . . . 1.0 115.788 172.788 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 48.9 mttp -57.95 149.24 23.45 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 125.561 1.545 . . . . 1.0 112.166 177.846 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 24.8 p -126.12 155.53 41.49 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 124.623 1.169 . . . . 1.0 113.632 -176.104 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 20.5 t90 -147.66 165.19 31.18 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.26 1.424 . . . . 1.0 110.498 170.71 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 90.9 p . . . . . 0 N--CA 1.485 1.279 0 N-CA-C 117.215 2.302 . . . . 1.0 117.215 -168.827 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 1.3 p90 . . . . . 0 CA--C 1.55 0.948 0 N-CA-C 112.778 0.658 . . . . 1.0 112.778 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 3.6 tt . . . . . 0 N--CA 1.471 0.619 0 C-N-CA 124.35 1.06 . . . . 1.0 108.566 169.615 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 83.8 tttt . . . . . 0 N--CA 1.476 0.829 0 N-CA-C 112.663 0.616 . . . . 1.0 112.663 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -135.1 148.22 49.75 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 125.149 1.38 . . . . 1.0 110.349 -177.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 51.3 ttt180 -145.61 117.02 7.98 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.14 0.976 . . . . 1.0 111.859 175.764 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -62.2 118.46 40.05 Favored Pre-proline 0 CA--C 1.549 0.906 0 C-N-CA 125.309 1.444 . . . . 1.0 111.926 178.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -71.18 -20.67 28.06 Favored 'Trans proline' 0 CA--C 1.539 0.774 0 C-N-CA 122.62 2.213 . . . . 1.0 113.976 -177.46 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -77.26 -31.36 54.89 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 113.736 1.013 . . . . 1.0 113.736 -177.613 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 51.6 p -132.63 -17.01 2.58 Favored 'General case' 0 N--CA 1.481 1.122 0 N-CA-C 115.205 1.557 . . . . 1.0 115.205 -173.002 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 88.65 -0.79 83.18 Favored Glycine 0 CA--C 1.538 1.477 0 C-N-CA 124.77 1.176 . . . . 1.0 115.124 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -59.31 149.35 29.13 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 125.746 1.619 . . . . 1.0 112.306 176.45 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 24.5 p -126.57 157.68 38.2 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 124.723 1.209 . . . . 1.0 113.518 -174.15 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 26.0 t90 -145.97 161.63 39.64 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.191 1.396 . . . . 1.0 110.309 170.004 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.6 m . . . . . 0 N--CA 1.481 1.105 0 N-CA-C 116.53 2.048 . . . . 1.0 116.53 -168.279 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.548 0.874 0 N-CA-C 113.266 0.839 . . . . 1.0 113.266 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 10.4 mt . . . . . 0 N--CA 1.474 0.732 0 O-C-N 120.772 -1.205 . . . . 1.0 110.563 169.467 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 56.6 tttp . . . . . 0 N--CA 1.478 0.935 0 N-CA-C 112.79 0.663 . . . . 1.0 112.79 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -139.37 144.64 38.27 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 125.122 1.369 . . . . 1.0 109.819 -177.22 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 52.7 ttt180 -145.21 121.76 11.07 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 124.542 1.137 . . . . 1.0 111.507 175.385 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -64.7 117.67 40.54 Favored Pre-proline 0 CA--C 1.546 0.809 0 C-N-CA 125.026 1.331 . . . . 1.0 111.683 175.834 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -71.59 -20.98 26.25 Favored 'Trans proline' 0 CA--C 1.544 0.977 0 C-N-CA 122.465 2.11 . . . . 1.0 113.726 -179.263 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -75.23 -34.13 61.4 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 113.799 1.037 . . . . 1.0 113.799 -176.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 46.1 p -132.63 -14.85 2.8 Favored 'General case' 0 N--CA 1.482 1.147 0 N-CA-C 114.733 1.383 . . . . 1.0 114.733 -174.122 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 92.08 -0.98 73.17 Favored Glycine 0 CA--C 1.537 1.468 0 C-N-CA 124.768 1.175 . . . . 1.0 115.537 177.159 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -58.87 148.8 28.8 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 125.634 1.574 . . . . 1.0 112.509 178.587 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 14.3 p -128.04 153.49 46.72 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 124.789 1.236 . . . . 1.0 113.412 -172.2 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 28.0 t90 -149.41 166.52 28.82 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.655 1.582 . . . . 1.0 110.596 173.319 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 87.5 p . . . . . 0 N--CA 1.481 1.104 0 N-CA-C 117.205 2.298 . . . . 1.0 117.205 -168.585 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.07 0 N-CA-C 113.355 0.872 . . . . 1.0 113.355 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 3.1 mt . . . . . 0 CA--C 1.539 0.557 0 C-N-CA 125.042 1.337 . . . . 1.0 110.163 169.436 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 58.1 mtpt . . . . . 0 N--CA 1.475 0.802 0 N-CA-C 112.683 0.623 . . . . 1.0 112.683 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -142.55 144.98 33.15 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.601 0.76 . . . . 1.0 111.23 -172.203 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 70.6 ttp85 -143.34 113.02 6.99 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 126.394 1.878 . . . . 1.0 110.251 174.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -64.49 108.79 2.15 Favored Pre-proline 0 CA--C 1.546 0.822 0 C-N-CA 125.799 1.639 . . . . 1.0 112.494 179.442 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -57.6 -26.99 75.07 Favored 'Trans proline' 0 CA--C 1.539 0.742 0 C-N-CA 122.739 2.293 . . . . 1.0 114.434 179.398 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -76.17 -19.11 58.74 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 114.431 1.271 . . . . 1.0 114.431 -176.383 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 68.9 p -141.16 -23.24 0.75 Allowed 'General case' 0 N--CA 1.483 1.22 0 N-CA-C 115.559 1.689 . . . . 1.0 115.559 -174.736 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 86.2 0.86 86.74 Favored Glycine 0 CA--C 1.538 1.512 0 C-N-CA 124.23 0.919 . . . . 1.0 114.648 -171.809 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -59.09 149.03 28.98 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 119.057 1.428 . . . . 1.0 111.466 172.197 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 27.0 p -133.78 157.99 44.49 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 124.261 1.024 . . . . 1.0 113.217 -174.739 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 23.5 t90 -152.63 162.94 40.56 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.595 1.158 . . . . 1.0 111.561 176.18 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 91.9 p . . . . . 0 N--CA 1.477 0.913 0 N-CA-C 115.948 1.833 . . . . 1.0 115.948 -169.582 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.475 0.778 0 N-CA-C 113.7 1.0 . . . . 1.0 113.7 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 4.2 mt . . . . . 0 CA--C 1.543 0.698 0 C-N-CA 125.594 1.558 . . . . 1.0 113.184 174.881 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 81.4 tttt . . . . . 0 N--CA 1.48 1.047 0 N-CA-C 112.851 0.685 . . . . 1.0 112.851 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.407 ' CD2' HD12 ' A' ' 104' ' ' LEU . 25.2 m-85 -142.47 146.84 35.18 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 124.695 1.198 . . . . 1.0 110.715 -174.425 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 53.0 ttt180 -144.87 114.4 7.17 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.639 0.776 . . . . 1.0 112.618 171.426 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -56.66 118.13 21.06 Favored Pre-proline 0 CA--C 1.552 1.023 0 C-N-CA 126.106 1.762 . . . . 1.0 112.009 178.114 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -72.32 -21.08 23.57 Favored 'Trans proline' 0 CA--C 1.541 0.83 0 C-N-CA 122.638 2.225 . . . . 1.0 113.853 -178.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.56 -38.39 65.22 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 113.541 0.941 . . . . 1.0 113.541 -176.483 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 51.7 p -135.38 -10.75 2.18 Favored 'General case' 0 N--CA 1.482 1.152 0 N-CA-C 114.924 1.453 . . . . 1.0 114.924 -173.503 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 93.91 1.96 65.01 Favored Glycine 0 CA--C 1.537 1.413 0 CA-C-O 118.619 -1.101 . . . . 1.0 115.52 173.225 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 47.6 mttp -59.19 149.03 29.44 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 125.424 1.49 . . . . 1.0 112.23 178.521 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 24.5 p -125.15 155.93 39.16 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 124.755 1.222 . . . . 1.0 113.43 -176.477 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 22.2 t90 -150.03 164.16 36.24 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.735 1.214 . . . . 1.0 111.032 171.142 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 89.8 p . . . . . 0 N--CA 1.482 1.143 0 N-CA-C 117.249 2.314 . . . . 1.0 117.249 -168.666 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.549 0.905 0 CA-C-O 121.348 0.594 . . . . 1.0 111.837 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.407 HD12 ' CD2' ' A' ' 77' ' ' TYR . 8.4 tp . . . . . 0 CA--C 1.538 0.496 0 C-N-CA 124.727 1.211 . . . . 1.0 110.737 -175.03 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 30.9 mtpp . . . . . 0 N--CA 1.478 0.959 0 N-CA-C 113.144 0.794 . . . . 1.0 113.144 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 31.6 m-85 -140.19 147.61 40.35 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.826 1.25 . . . . 1.0 110.505 -175.819 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 61.2 ttp180 -145.57 115.5 7.37 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.753 1.621 . . . . 1.0 111.037 176.182 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -64.21 120.06 61.33 Favored Pre-proline 0 CA--C 1.549 0.929 0 C-N-CA 124.98 1.312 . . . . 1.0 111.504 176.019 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -72.22 -21.23 23.71 Favored 'Trans proline' 0 CA--C 1.541 0.875 0 C-N-CA 122.55 2.166 . . . . 1.0 114.232 -175.848 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -80.53 -27.41 37.63 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 113.626 0.973 . . . . 1.0 113.626 -177.621 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 69.5 p -132.98 -17.32 2.43 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 115.126 1.528 . . . . 1.0 115.126 -171.339 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 81.44 3.53 90.62 Favored Glycine 0 CA--C 1.538 1.528 0 C-N-CA 124.352 0.977 . . . . 1.0 114.932 -177.132 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -58.84 149.51 26.55 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 125.058 1.343 . . . . 1.0 111.447 172.028 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 33.4 p -133.3 160.94 35.84 Favored 'General case' 0 N--CA 1.481 1.086 0 N-CA-C 113.627 0.973 . . . . 1.0 113.627 -175.241 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 19.7 t90 -146.43 161.31 40.68 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.645 1.178 . . . . 1.0 110.794 170.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.9 m . . . . . 0 N--CA 1.482 1.138 0 N-CA-C 116.02 1.859 . . . . 1.0 116.02 -168.578 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 6.3 p90 . . . . . 0 CA--C 1.545 0.765 0 N-CA-C 114.434 1.272 . . . . 1.0 114.434 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 6.1 mt . . . . . 0 N--CA 1.472 0.674 0 O-C-N 120.488 -1.383 . . . . 1.0 108.974 168.454 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp . . . . . 0 N--CA 1.48 1.064 0 N-CA-C 113.037 0.754 . . . . 1.0 113.037 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -138.97 145.98 40.39 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.615 1.166 . . . . 1.0 109.967 -174.491 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 55.8 ttt180 -145.65 119.78 9.48 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 124.735 1.214 . . . . 1.0 111.038 176.755 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -64.54 117.16 35.0 Favored Pre-proline 0 CA--C 1.547 0.856 0 C-N-CA 124.829 1.252 . . . . 1.0 111.504 175.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -70.46 -20.0 32.09 Favored 'Trans proline' 0 CA--C 1.543 0.956 0 C-N-CA 122.639 2.226 . . . . 1.0 113.715 -179.511 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -75.34 -31.27 60.52 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 113.504 0.927 . . . . 1.0 113.504 -177.451 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 58.5 p -131.03 -17.36 3.1 Favored 'General case' 0 N--CA 1.482 1.135 0 N-CA-C 114.702 1.371 . . . . 1.0 114.702 -175.621 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 89.04 -2.01 83.56 Favored Glycine 0 CA--C 1.536 1.398 0 C-N-CA 125.174 1.368 . . . . 1.0 114.98 -178.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 59.5 mtpt -63.34 148.77 47.45 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 125.318 1.447 . . . . 1.0 112.415 178.678 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 24.0 p -122.32 159.61 27.06 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 125.053 1.341 . . . . 1.0 113.503 -171.481 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 30.9 t90 -150.71 164.17 36.78 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.516 1.527 . . . . 1.0 110.707 174.67 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 93.3 p . . . . . 0 N--CA 1.48 1.07 0 N-CA-C 115.976 1.843 . . . . 1.0 115.976 -168.864 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.002 0 N-CA-C 113.788 1.032 . . . . 1.0 113.788 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 4.4 mt . . . . . 0 CA--C 1.539 0.53 0 O-C-N 120.597 -1.315 . . . . 1.0 109.876 169.145 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 84.8 tttt . . . . . 0 N--CA 1.478 0.965 0 N-CA-C 112.212 0.449 . . . . 1.0 112.212 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.407 ' CE2' ' HG ' ' A' ' 104' ' ' LEU . 81.5 m-85 -138.11 150.94 47.32 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 125.314 1.446 . . . . 1.0 112.199 -177.554 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 60.8 ttp180 -143.41 116.36 8.84 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 126.287 1.835 . . . . 1.0 110.056 169.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -64.09 117.77 39.64 Favored Pre-proline 0 CA--C 1.548 0.899 0 C-N-CA 125.246 1.418 . . . . 1.0 111.061 174.672 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -70.92 -20.34 29.49 Favored 'Trans proline' 0 CA--C 1.542 0.88 0 C-N-CA 122.471 2.114 . . . . 1.0 113.674 -177.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -75.92 -32.01 59.39 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 113.652 0.982 . . . . 1.0 113.652 -177.651 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 51.7 p -133.21 -16.15 2.47 Favored 'General case' 0 N--CA 1.482 1.153 0 N-CA-C 115.063 1.505 . . . . 1.0 115.063 -173.122 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 86.5 1.66 85.59 Favored Glycine 0 CA--C 1.538 1.479 0 C-N-CA 124.508 1.051 . . . . 1.0 115.024 -178.431 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -59.17 149.33 28.49 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 125.242 1.417 . . . . 1.0 111.761 173.733 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 33.8 p -132.27 158.68 41.21 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.391 1.076 . . . . 1.0 113.16 -174.399 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 34.1 t90 -152.24 162.93 40.41 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.947 1.299 . . . . 1.0 111.194 177.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.6 m . . . . . 0 N--CA 1.48 1.048 0 N-CA-C 116.065 1.876 . . . . 1.0 116.065 -168.754 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.476 0.85 0 N-CA-C 114.426 1.269 . . . . 1.0 114.426 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.407 ' HG ' ' CE2' ' A' ' 77' ' ' TYR . 7.0 mt . . . . . 0 CA--C 1.539 0.527 0 O-C-N 121.009 -1.057 . . . . 1.0 110.978 169.647 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 52.3 mtpt . . . . . 0 N--CA 1.477 0.92 0 N-CA-C 112.92 0.711 . . . . 1.0 112.92 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -141.01 143.05 34.2 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.055 0.942 . . . . 1.0 109.909 -174.122 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 53.0 ttt180 -145.77 119.09 8.95 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.427 1.091 . . . . 1.0 111.411 175.722 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -64.48 117.86 41.75 Favored Pre-proline 0 CA--C 1.546 0.814 0 C-N-CA 124.862 1.265 . . . . 1.0 111.486 174.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_endo -72.63 -19.87 23.93 Favored 'Trans proline' 0 CA--C 1.539 0.774 0 C-N-CA 122.505 2.137 . . . . 1.0 113.753 -178.819 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -75.08 -29.38 60.65 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.027 0.931 . . . . 1.0 113.481 -177.45 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 68.3 p -131.91 -20.53 2.5 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.979 1.312 . . . . 1.0 114.51 -175.157 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 91.78 -2.91 77.34 Favored Glycine 0 CA--C 1.537 1.461 0 C-N-CA 125.006 1.289 . . . . 1.0 115.03 -178.304 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 58.3 mtmt -61.35 148.77 40.32 Favored 'General case' 0 N--CA 1.482 1.135 0 CA-C-N 119.093 1.447 . . . . 1.0 112.495 178.504 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 23.5 p -126.7 158.14 37.23 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 125.184 1.394 . . . . 1.0 113.571 -170.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 28.7 t90 -150.59 164.38 36.17 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.307 1.443 . . . . 1.0 111.11 173.209 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 95.0 p . . . . . 0 N--CA 1.48 1.056 0 N-CA-C 116.604 2.075 . . . . 1.0 116.604 -169.26 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.94 0 N-CA-C 113.72 1.008 . . . . 1.0 113.72 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 3.0 mt . . . . . 0 CA--C 1.543 0.677 0 C-N-CA 125.001 1.32 . . . . 1.0 111.296 169.736 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 65.7 mttm . . . . . 0 N--CA 1.476 0.839 0 N-CA-C 113.112 0.782 . . . . 1.0 113.112 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -142.29 149.14 39.13 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 119.36 0.982 . . . . 1.0 111.524 -175.077 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 52.2 ttt180 -144.93 115.21 7.54 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.899 0.88 . . . . 1.0 112.106 171.307 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -62.26 117.8 33.81 Favored Pre-proline 0 CA--C 1.548 0.879 0 C-N-CA 125.547 1.539 . . . . 1.0 112.163 179.448 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -71.22 -20.5 28.13 Favored 'Trans proline' 0 CA--C 1.541 0.826 0 C-N-CA 122.625 2.217 . . . . 1.0 113.887 -178.529 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -76.71 -31.9 57.49 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 113.636 0.976 . . . . 1.0 113.636 -177.277 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 49.6 p -133.09 -16.26 2.5 Favored 'General case' 0 N--CA 1.481 1.084 0 N-CA-C 115.054 1.501 . . . . 1.0 115.054 -174.096 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 90.69 -2.48 80.24 Favored Glycine 0 CA--C 1.536 1.39 0 C-N-CA 124.807 1.194 . . . . 1.0 115.226 179.483 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -58.72 149.25 26.76 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 125.898 1.679 . . . . 1.0 112.42 177.73 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 24.6 p -125.97 156.81 39.22 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 124.843 1.257 . . . . 1.0 113.04 -175.509 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 14.5 t90 -148.24 160.17 43.22 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.376 1.07 . . . . 1.0 111.553 171.807 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.1 m . . . . . 0 N--CA 1.48 1.066 0 N-CA-C 116.101 1.889 . . . . 1.0 116.101 -168.431 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.549 0.924 0 N-CA-C 112.535 0.568 . . . . 1.0 112.535 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.8 tt . . . . . 0 CA--C 1.542 0.662 0 C-N-CA 124.761 1.224 . . . . 1.0 109.554 170.027 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 58.2 tttp . . . . . 0 N--CA 1.477 0.922 0 N-CA-C 112.226 0.454 . . . . 1.0 112.226 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -139.41 148.46 42.83 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 125.389 1.476 . . . . 1.0 110.422 -176.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 60.3 ttp180 -144.85 116.17 8.01 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.858 1.663 . . . . 1.0 111.041 175.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -64.05 120.34 63.27 Favored Pre-proline 0 CA--C 1.549 0.928 0 C-N-CA 124.99 1.316 . . . . 1.0 111.518 176.38 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -71.81 -22.07 24.08 Favored 'Trans proline' 0 CA--C 1.542 0.896 0 C-N-CA 122.655 2.237 . . . . 1.0 114.246 -176.432 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -78.11 -28.29 48.54 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 113.827 1.047 . . . . 1.0 113.827 -177.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 68.8 p -132.56 -17.47 2.56 Favored 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 115.115 1.524 . . . . 1.0 115.115 -171.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 82.0 3.41 90.59 Favored Glycine 0 CA--C 1.54 1.594 0 C-N-CA 124.279 0.942 . . . . 1.0 114.759 -176.487 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -59.69 149.53 30.4 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-N 118.953 1.377 . . . . 1.0 111.391 173.014 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 33.2 p -132.55 158.83 41.16 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 124.219 1.008 . . . . 1.0 113.588 -174.488 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 23.2 t90 -147.94 165.55 30.35 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.151 1.38 . . . . 1.0 110.166 173.284 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 80.1 p . . . . . 0 N--CA 1.482 1.158 0 N-CA-C 117.242 2.312 . . . . 1.0 117.242 -168.444 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 4.6 p90 . . . . . 0 N--CA 1.474 0.775 0 N-CA-C 114.536 1.31 . . . . 1.0 114.536 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 5.8 mt . . . . . 0 N--CA 1.471 0.597 0 O-C-N 120.563 -1.336 . . . . 1.0 110.293 169.052 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 67.0 mttm . . . . . 0 N--CA 1.477 0.909 0 N-CA-C 112.875 0.694 . . . . 1.0 112.875 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -135.38 149.45 49.67 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.771 1.228 . . . . 1.0 110.953 -175.178 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 53.4 ttt180 -146.15 116.74 7.58 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.418 1.087 . . . . 1.0 111.892 173.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -64.03 119.97 59.96 Favored Pre-proline 0 CA--C 1.548 0.888 0 C-N-CA 125.5 1.52 . . . . 1.0 111.855 178.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -72.2 -22.29 22.49 Favored 'Trans proline' 0 CA--C 1.542 0.889 0 C-N-CA 122.696 2.264 . . . . 1.0 114.04 -178.108 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -75.53 -30.61 59.82 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 113.812 1.041 . . . . 1.0 113.812 -177.481 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 55.1 p -132.36 -16.29 2.75 Favored 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 114.812 1.412 . . . . 1.0 114.812 -173.491 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 88.09 -2.09 85.2 Favored Glycine 0 CA--C 1.537 1.441 0 C-N-CA 124.818 1.199 . . . . 1.0 115.022 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -59.8 148.79 33.24 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 125.597 1.559 . . . . 1.0 112.296 178.109 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 24.4 p -124.65 158.8 32.26 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 125.085 1.354 . . . . 1.0 113.125 -174.335 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 17.0 t90 -147.57 159.8 43.35 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.654 1.182 . . . . 1.0 111.495 170.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 78.0 p . . . . . 0 N--CA 1.479 1.008 0 N-CA-C 117.003 2.224 . . . . 1.0 117.003 -168.736 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 2.2 p90 . . . . . 0 N--CA 1.475 0.796 0 N-CA-C 113.944 1.091 . . . . 1.0 113.944 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 7.1 mt . . . . . 0 N--CA 1.472 0.675 0 O-C-N 120.787 -1.195 . . . . 1.0 109.47 169.052 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 64.9 mttm . . . . . 0 N--CA 1.475 0.818 0 N-CA-C 113.036 0.754 . . . . 1.0 113.036 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -138.0 145.43 41.89 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 123.899 0.879 . . . . 1.0 110.791 -173.117 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 66.4 ttt-85 -143.75 115.23 8.08 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.748 1.219 . . . . 1.0 111.701 174.587 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -63.96 118.49 46.29 Favored Pre-proline 0 CA--C 1.549 0.941 0 C-N-CA 125.237 1.415 . . . . 1.0 111.58 177.215 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_endo -71.02 -21.35 27.77 Favored 'Trans proline' 0 CA--C 1.541 0.837 0 C-N-CA 122.572 2.181 . . . . 1.0 114.029 -179.116 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -75.46 -31.21 60.19 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 113.7 1.0 . . . . 1.0 113.7 -177.392 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 63.4 p -133.33 -16.25 2.43 Favored 'General case' 0 N--CA 1.481 1.099 0 N-CA-C 114.876 1.436 . . . . 1.0 114.876 -173.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 87.19 0.23 85.27 Favored Glycine 0 CA--C 1.537 1.435 0 C-N-CA 124.492 1.044 . . . . 1.0 115.177 -178.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -58.88 149.21 27.55 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 125.338 1.455 . . . . 1.0 112.188 175.345 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 31.2 p -130.94 158.61 39.77 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.503 1.121 . . . . 1.0 113.564 -174.765 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 21.4 t90 -148.31 164.24 34.64 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.964 1.306 . . . . 1.0 110.795 173.209 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 85.0 p . . . . . 0 N--CA 1.48 1.035 0 N-CA-C 116.65 2.093 . . . . 1.0 116.65 -168.646 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.48 1.038 0 N-CA-C 114.561 1.319 . . . . 1.0 114.561 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 5.5 mt . . . . . 0 N--CA 1.472 0.658 0 O-C-N 120.833 -1.167 . . . . 1.0 110.422 169.4 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 30.8 mtpp . . . . . 0 N--CA 1.479 1.011 0 N-CA-C 112.884 0.698 . . . . 1.0 112.884 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 76.9 m-85 -139.22 147.67 42.06 Favored 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 124.67 1.188 . . . . 1.0 111.638 -177.48 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 51.4 ttt180 -144.37 118.26 9.35 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 125.087 1.355 . . . . 1.0 111.299 169.776 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -63.57 119.12 51.01 Favored Pre-proline 0 CA--C 1.548 0.903 0 C-N-CA 125.347 1.459 . . . . 1.0 111.303 176.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -70.48 -20.9 30.84 Favored 'Trans proline' 0 CA--C 1.542 0.878 0 C-N-CA 122.456 2.104 . . . . 1.0 113.972 -179.357 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -76.16 -32.58 59.15 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 113.751 1.019 . . . . 1.0 113.751 -177.024 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 52.3 p -131.95 -15.32 3.01 Favored 'General case' 0 N--CA 1.483 1.214 0 N-CA-C 114.879 1.437 . . . . 1.0 114.879 -174.072 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 87.06 -0.77 86.3 Favored Glycine 0 CA--C 1.536 1.403 0 C-N-CA 124.744 1.164 . . . . 1.0 115.177 -179.322 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -60.2 149.45 32.99 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 125.832 1.653 . . . . 1.0 112.118 176.515 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 25.1 p -125.72 159.44 32.3 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 124.706 1.202 . . . . 1.0 113.573 -173.258 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 31.5 t90 -150.32 163.5 38.16 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.842 1.257 . . . . 1.0 111.289 172.256 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.7 m . . . . . 0 N--CA 1.48 1.055 0 N-CA-C 115.995 1.85 . . . . 1.0 115.995 -168.4 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.474 0.747 0 N-CA-C 114.93 1.456 . . . . 1.0 114.93 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 9.0 mt . . . . . 0 CA--C 1.539 0.555 0 CA-C-N 119.802 1.183 . . . . 1.0 111.542 169.733 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 28.1 ttt . . . . . 0 N--CA 1.494 1.765 0 N-CA-C 110.474 -0.195 . . . . 1.0 110.474 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 77.3 p -136.42 1.02 2.59 Favored 'General case' 0 N--CA 1.483 1.178 0 N-CA-C 114.758 1.392 . . . . 1.0 114.758 -174.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 46.9 p -139.32 165.88 26.02 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 125.97 1.708 . . . . 1.0 111.543 -179.487 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.1 p -143.98 143.34 22.51 Favored Pre-proline 0 N--CA 1.48 1.048 0 C-N-CA 124.924 1.29 . . . . 1.0 110.818 179.321 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_exo -47.54 151.62 3.08 Favored 'Trans proline' 0 CA--C 1.539 0.767 0 C-N-CA 124.379 3.386 . . . . 1.0 115.477 174.116 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 55.3 tttp -127.24 -30.88 2.61 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 126.169 1.787 . . . . 1.0 112.983 179.636 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 -137.68 150.71 47.57 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.735 1.214 . . . . 1.0 111.139 -177.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 56.6 ttt180 -145.11 116.21 7.89 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.531 1.132 . . . . 1.0 112.075 174.295 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -63.78 119.09 51.44 Favored Pre-proline 0 CA--C 1.549 0.913 0 C-N-CA 125.664 1.586 . . . . 1.0 111.867 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -72.04 -20.98 24.68 Favored 'Trans proline' 0 CA--C 1.541 0.837 0 C-N-CA 122.697 2.264 . . . . 1.0 114.003 -178.119 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -75.78 -30.92 59.27 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 113.704 1.001 . . . . 1.0 113.704 -177.698 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 57.4 p -131.86 -17.12 2.84 Favored 'General case' 0 N--CA 1.483 1.183 0 N-CA-C 114.839 1.422 . . . . 1.0 114.839 -174.043 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 89.23 -2.13 83.22 Favored Glycine 0 CA--C 1.537 1.443 0 C-N-CA 124.763 1.173 . . . . 1.0 115.125 -179.131 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -60.73 149.24 36.09 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.677 1.591 . . . . 1.0 112.626 178.579 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 23.6 p -123.72 157.7 33.34 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 124.974 1.31 . . . . 1.0 113.089 -174.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 25.4 t90 -149.54 163.63 37.29 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.751 1.221 . . . . 1.0 110.862 171.647 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.1 m -129.82 14.73 5.86 Favored 'General case' 0 N--CA 1.481 1.105 0 N-CA-C 116.373 1.99 . . . . 1.0 116.373 -168.291 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 79.57 13.28 82.72 Favored Glycine 0 CA--C 1.539 1.593 0 O-C-N 121.252 -0.905 . . . . 1.0 114.822 177.597 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -135.66 154.74 51.2 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 125.967 1.707 . . . . 1.0 111.737 -175.344 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 65.77 -166.54 35.5 Favored Glycine 0 CA--C 1.539 1.588 0 C-N-CA 123.403 0.525 . . . . 1.0 113.355 -173.338 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 26.4 tpt180 -58.61 127.51 32.55 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.075 0.95 . . . . 1.0 111.539 175.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -69.03 136.27 89.52 Favored Pre-proline 0 CA--C 1.555 1.154 0 C-N-CA 124.543 1.137 . . . . 1.0 111.554 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -60.36 157.65 34.83 Favored 'Trans proline' 0 CA--C 1.539 0.756 0 C-N-CA 123.673 2.916 . . . . 1.0 114.396 173.718 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -65.7 -42.04 91.62 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 113.212 0.819 . . . . 1.0 113.212 175.346 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 64.7 p-90 -63.2 -24.51 67.91 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 113.729 1.011 . . . . 1.0 113.729 177.609 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.27 -28.53 69.79 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 124.467 1.107 . . . . 1.0 112.886 174.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -81.17 45.44 3.21 Favored Glycine 0 CA--C 1.537 1.444 0 C-N-CA 125.882 1.706 . . . . 1.0 115.401 -169.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -142.64 -59.56 0.44 Allowed 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 118.256 1.028 . . . . 1.0 112.956 178.431 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -155.86 81.91 3.75 Favored Pre-proline 0 CA--C 1.545 0.78 0 C-N-CA 124.042 0.937 . . . . 1.0 111.32 -179.272 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.418 ' HA ' ' CE1' ' A' ' 103' ' ' PHE . 81.7 Cg_exo -46.2 -33.84 12.54 Favored 'Trans proline' 0 CA--C 1.538 0.685 0 C-N-CA 124.577 3.518 . . . . 1.0 116.696 -174.004 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.64 -24.14 67.49 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 114.559 1.318 . . . . 1.0 114.559 178.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.17 -26.12 65.59 Favored 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 114.548 1.314 . . . . 1.0 114.548 -174.293 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.418 ' CE1' ' HA ' ' A' ' 100' ' ' PRO . 1.2 p90 -135.28 17.49 3.41 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 124.94 1.296 . . . . 1.0 113.765 -170.277 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 9.7 mt -61.4 140.8 57.97 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 120.826 -1.171 . . . . 1.0 111.284 169.567 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 95.6 mt -79.63 135.64 25.18 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.599 0 N-CA-C 108.181 -1.044 . . . . 1.0 108.181 169.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -133.63 154.9 80.89 Favored Pre-proline 0 CA--C 1.547 0.852 0 C-N-CA 125.282 1.433 . . . . 1.0 112.128 -175.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_endo -75.93 64.95 6.88 Favored 'Trans proline' 0 CA--C 1.546 1.12 0 C-N-CA 124.656 3.571 . . . . 1.0 112.476 178.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -55.64 -24.6 34.62 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 125.768 1.627 . . . . 1.0 114.414 176.569 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 87.8 mt -133.76 155.66 80.18 Favored Pre-proline 0 CA--C 1.549 0.93 0 C-N-CA 127.503 2.321 . . . . 1.0 110.254 170.255 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -53.18 145.31 43.98 Favored 'Trans proline' 0 C--N 1.353 0.793 0 C-N-CA 123.789 2.993 . . . . 1.0 114.495 179.437 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -78.64 31.47 0.19 Allowed 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 124.686 1.194 . . . . 1.0 114.213 175.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 17.9 pt -141.72 54.19 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 127.656 2.382 . . . . 1.0 110.341 -176.534 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 57.8 tp -148.39 144.23 27.35 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 126.461 1.904 . . . . 1.0 110.994 -170.214 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 . . . . . 0 C--O 1.254 1.307 0 C-N-CA 126.055 1.742 . . . . 1.0 112.264 179.546 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 62.1 ttp . . . . . 0 N--CA 1.494 1.771 0 N-CA-C 110.588 -0.153 . . . . 1.0 110.588 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 79.5 p -151.62 167.83 26.89 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 125.034 1.334 . . . . 1.0 112.346 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 14.3 t -143.5 165.57 27.2 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.986 1.314 . . . . 1.0 112.006 176.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 16.2 m -140.59 153.88 68.62 Favored Pre-proline 0 N--CA 1.479 1.01 0 C-N-CA 126.223 1.809 . . . . 1.0 112.041 -176.07 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -66.58 165.6 24.73 Favored 'Trans proline' 0 CA--C 1.539 0.756 0 C-N-CA 122.927 2.418 . . . . 1.0 113.302 173.541 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 56.8 tttp -111.9 -25.86 9.21 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 126.285 1.834 . . . . 1.0 112.605 177.206 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -138.93 146.45 41.05 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 125.1 1.36 . . . . 1.0 110.4 -176.442 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 50.8 ttt180 -145.07 121.98 11.31 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 124.752 1.221 . . . . 1.0 111.746 172.018 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -64.05 117.9 40.72 Favored Pre-proline 0 CA--C 1.546 0.812 0 C-N-CA 125.477 1.511 . . . . 1.0 111.277 175.019 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_endo -72.63 -20.35 23.35 Favored 'Trans proline' 0 CA--C 1.543 0.927 0 C-N-CA 122.663 2.242 . . . . 1.0 113.839 -179.425 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -74.06 -37.93 64.11 Favored 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 113.403 0.89 . . . . 1.0 113.403 -176.29 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 55.5 p -134.64 -10.63 2.41 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 114.874 1.435 . . . . 1.0 114.874 -173.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 94.56 0.24 64.89 Favored Glycine 0 CA--C 1.536 1.348 0 CA-C-O 118.482 -1.176 . . . . 1.0 115.646 172.598 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 47.9 mttp -57.58 147.52 26.86 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 125.298 1.439 . . . . 1.0 112.251 178.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 21.8 p -126.93 156.12 42.01 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 124.659 1.184 . . . . 1.0 113.187 -175.643 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 26.1 t90 -152.12 165.71 33.92 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.142 1.377 . . . . 1.0 111.179 171.56 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.6 m -133.84 13.8 3.99 Favored 'General case' 0 N--CA 1.482 1.152 0 N-CA-C 116.968 2.21 . . . . 1.0 116.968 -168.351 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 87.05 13.46 66.3 Favored Glycine 0 CA--C 1.539 1.582 0 CA-C-N 119.331 0.969 . . . . 1.0 115.28 175.038 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 63.5 ttm-85 -135.61 143.67 45.71 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 125.725 1.61 . . . . 1.0 111.294 -177.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 75.86 -167.42 54.7 Favored Glycine 0 CA--C 1.537 1.407 0 C-N-CA 123.435 0.541 . . . . 1.0 112.813 -171.172 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 82.1 mtp180 -62.78 130.68 45.97 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.765 0.826 . . . . 1.0 111.454 177.098 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -65.15 136.26 96.54 Favored Pre-proline 0 CA--C 1.551 1.017 0 C-N-CA 124.176 0.99 . . . . 1.0 111.202 176.627 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -71.23 155.2 61.18 Favored 'Trans proline' 0 CA--C 1.542 0.915 0 C-N-CA 123.051 2.501 . . . . 1.0 112.794 178.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.96 -39.77 95.67 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 114.244 1.201 . . . . 1.0 114.244 -173.703 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 32.2 p-90 -62.65 -31.88 72.83 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 113.572 0.953 . . . . 1.0 113.572 -179.216 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 33.9 tp -73.77 -21.28 60.23 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.94 1.296 . . . . 1.0 113.804 -178.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -76.83 45.78 2.25 Favored Glycine 0 CA--C 1.538 1.502 0 C-N-CA 125.466 1.508 . . . . 1.0 116.335 -170.102 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -146.26 -54.15 0.26 Allowed 'General case' 0 CA--C 1.549 0.907 0 CA-C-N 118.515 1.158 . . . . 1.0 113.869 177.602 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -155.71 79.81 4.2 Favored Pre-proline 0 CA--C 1.548 0.88 0 C-N-CA 124.105 0.962 . . . . 1.0 111.587 -177.068 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -42.83 -35.6 4.47 Favored 'Trans proline' 0 C--N 1.355 0.893 1 C-N-CA 125.361 4.041 . . . . 1.0 117.223 -171.317 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -57.69 -23.52 52.04 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 114.83 1.418 . . . . 1.0 114.83 179.295 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.36 -21.31 63.82 Favored 'General case' 0 CA--C 1.548 0.875 0 N-CA-C 114.311 1.226 . . . . 1.0 114.311 177.013 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -138.6 -7.46 1.48 Allowed 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.914 1.285 . . . . 1.0 114.408 -173.238 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 4.8 mt -56.95 129.16 40.41 Favored 'General case' 0 N--CA 1.47 0.543 0 O-C-N 120.842 -1.161 . . . . 1.0 110.039 169.567 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 93.9 mt -71.48 127.96 34.03 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 N-CA-C 108.852 -0.795 . . . . 1.0 108.852 175.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -137.36 151.09 70.72 Favored Pre-proline 0 CA--C 1.547 0.844 0 C-N-CA 125.541 1.536 . . . . 1.0 110.456 -170.633 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -77.65 -10.23 17.14 Favored 'Trans proline' 0 CA--C 1.542 0.893 0 C-N-CA 123.093 2.528 . . . . 1.0 114.714 -175.038 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 22.8 t70 46.25 29.65 0.87 Allowed 'General case' 0 CA--C 1.554 1.117 0 C-N-CA 126.654 1.982 . . . . 1.0 114.862 -171.462 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 69.1 mt -141.66 161.44 51.98 Favored Pre-proline 0 CA--C 1.548 0.894 0 C-N-CA 126.917 2.087 . . . . 1.0 111.318 -176.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -52.48 158.03 6.25 Favored 'Trans proline' 0 C--N 1.352 0.754 0 C-N-CA 123.902 3.068 . . . . 1.0 114.353 169.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -74.43 35.27 0.1 Allowed 'General case' 0 CA--C 1.554 1.115 0 C-N-CA 125.904 1.682 . . . . 1.0 114.851 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 33.0 mm -135.35 76.86 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 128.612 2.765 . . . . 1.0 106.891 -178.336 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 16.5 tp -138.6 4.54 2.37 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 124.724 1.21 . . . . 1.0 114.034 -169.654 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 . . . . . 0 C--O 1.253 1.274 0 C-N-CA 126.564 1.946 . . . . 1.0 112.566 -177.779 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 99.2 mmm . . . . . 0 N--CA 1.497 1.884 0 N-CA-C 110.797 -0.075 . . . . 1.0 110.797 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 58.0 p -73.11 -18.94 61.24 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 114.571 1.323 . . . . 1.0 114.571 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 65.4 p -136.6 164.34 28.44 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 125.978 1.711 . . . . 1.0 111.956 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 15.9 m -140.31 154.44 69.79 Favored Pre-proline 0 N--CA 1.481 1.078 0 C-N-CA 125.716 1.606 . . . . 1.0 111.032 -178.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -68.87 164.06 35.0 Favored 'Trans proline' 0 CA--C 1.54 0.778 0 C-N-CA 122.918 2.412 . . . . 1.0 112.866 176.005 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -130.37 -26.18 2.34 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 126.973 2.109 . . . . 1.0 112.831 -178.309 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -139.71 151.62 46.02 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 125.024 1.329 . . . . 1.0 111.044 -176.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 57.2 ttm-85 -142.25 120.31 12.12 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.602 1.561 . . . . 1.0 111.032 170.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -64.06 118.9 50.59 Favored Pre-proline 0 CA--C 1.547 0.857 0 C-N-CA 125.266 1.426 . . . . 1.0 111.299 174.355 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -71.05 -21.21 27.85 Favored 'Trans proline' 0 CA--C 1.54 0.791 0 C-N-CA 122.406 2.071 . . . . 1.0 113.98 -178.083 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -74.88 -29.56 61.04 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 113.637 0.977 . . . . 1.0 113.637 -177.631 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 62.5 p -131.39 -17.61 2.95 Favored 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 115.044 1.498 . . . . 1.0 115.044 -175.104 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 87.89 -3.95 85.8 Favored Glycine 0 CA--C 1.537 1.416 0 C-N-CA 125.208 1.385 . . . . 1.0 114.827 -177.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -61.0 150.24 34.17 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 126.133 1.773 . . . . 1.0 112.409 177.553 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 31.5 p -124.26 161.7 25.26 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 124.683 1.193 . . . . 1.0 113.866 -172.669 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' TRP . . . . . 0.401 ' CH2' ' HA2' ' A' ' 88' ' ' GLY . 22.1 t90 -147.44 166.24 27.81 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.246 1.418 . . . . 1.0 110.661 170.633 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 83.8 p -131.77 1.46 4.0 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 117.783 2.512 . . . . 1.0 117.783 -168.513 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.401 ' HA2' ' CH2' ' A' ' 86' ' ' TRP . . . 93.69 9.96 59.46 Favored Glycine 0 CA--C 1.538 1.487 0 CA-C-N 119.684 1.129 . . . . 1.0 115.033 -177.664 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 77.1 ttt-85 -135.17 146.67 48.96 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 125.817 1.647 . . . . 1.0 111.648 -176.54 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 77.88 -170.95 55.11 Favored Glycine 0 CA--C 1.537 1.457 0 C-N-CA 123.847 0.737 . . . . 1.0 113.482 -173.462 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -59.84 139.56 57.24 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 124.025 0.93 . . . . 1.0 112.066 178.735 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 -65.11 129.94 94.65 Favored Pre-proline 0 CA--C 1.551 1.013 0 C-N-CA 124.345 1.058 . . . . 1.0 111.516 -178.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_exo -59.25 146.6 94.11 Favored 'Trans proline' 0 C--N 1.352 0.744 0 C-N-CA 123.426 2.75 . . . . 1.0 113.317 172.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.74 -37.93 86.09 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 113.312 0.856 . . . . 1.0 113.312 179.44 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 55.2 p-90 -68.48 -18.92 64.5 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 114.029 1.122 . . . . 1.0 114.029 176.283 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.2 tp -70.89 -20.43 62.51 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 113.579 0.955 . . . . 1.0 113.579 -178.516 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -82.13 47.91 3.81 Favored Glycine 0 CA--C 1.535 1.291 0 C-N-CA 125.625 1.583 . . . . 1.0 115.61 -170.075 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -144.46 -62.89 0.37 Allowed 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 118.668 1.234 . . . . 1.0 113.336 177.646 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -158.55 89.72 2.18 Favored Pre-proline 0 CA--C 1.546 0.791 0 C-N-CA 124.142 0.977 . . . . 1.0 111.324 -176.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.548 ' HA ' ' CE1' ' A' ' 103' ' ' PHE . 69.7 Cg_exo -42.21 -39.44 6.1 Favored 'Trans proline' 0 C--N 1.352 0.742 0 C-N-CA 124.936 3.758 . . . . 1.0 116.683 -176.522 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.25 -20.7 66.23 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 114.812 1.412 . . . . 1.0 114.812 -178.484 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.76 -22.8 63.32 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 113.835 1.05 . . . . 1.0 113.835 176.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.548 ' CE1' ' HA ' ' A' ' 100' ' ' PRO . 3.7 p90 -136.36 -1.62 2.32 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 114.602 1.334 . . . . 1.0 114.602 -174.635 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 7.6 mt -58.41 136.77 57.53 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 120.442 -1.411 . . . . 1.0 109.647 168.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 81.8 mt -67.16 122.02 17.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 N-CA-C 108.429 -0.952 . . . . 1.0 108.429 171.526 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -145.38 152.1 49.17 Favored Pre-proline 0 CA--C 1.547 0.834 0 C-N-CA 125.874 1.67 . . . . 1.0 110.834 -171.085 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -67.93 138.07 43.23 Favored 'Trans proline' 0 CA--C 1.541 0.846 0 C-N-CA 122.42 2.08 . . . . 1.0 111.924 -176.538 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -55.22 -27.41 45.92 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 114.976 1.473 . . . . 1.0 114.976 -178.53 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 7.8 tt -140.5 135.79 16.15 Favored Pre-proline 0 CA--C 1.545 0.778 0 C-N-CA 127.501 2.321 . . . . 1.0 108.233 173.659 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -73.24 74.55 3.04 Favored 'Trans proline' 0 CA--C 1.541 0.872 0 C-N-CA 124.186 3.257 . . . . 1.0 113.422 -176.115 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -143.95 39.19 1.34 Allowed 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 126.643 1.977 . . . . 1.0 111.83 -178.64 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . 0.287 9.8 tp 33.43 60.12 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 C-N-CA 128.263 2.625 . . . . 1.0 114.166 -176.42 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 86.3 mt -68.8 -26.93 65.44 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 114.25 -1.341 . . . . 1.0 114.119 -172.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 . . . . . 0 C--O 1.254 1.29 0 C-N-CA 126.172 1.789 . . . . 1.0 113.632 -178.187 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 27.9 ttt . . . . . 0 N--CA 1.493 1.707 0 N-CA-C 110.673 -0.121 . . . . 1.0 110.673 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 79.3 p -149.87 169.19 21.7 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.327 1.451 . . . . 1.0 112.235 -179.339 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 13.7 t -143.67 165.43 27.65 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 125.004 1.322 . . . . 1.0 112.114 177.468 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 8.9 p -146.0 142.03 17.3 Favored Pre-proline 0 N--CA 1.477 0.908 0 C-N-CA 126.13 1.772 . . . . 1.0 111.059 -178.629 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -63.78 160.59 36.13 Favored 'Trans proline' 0 CA--C 1.538 0.699 0 C-N-CA 123.578 2.852 . . . . 1.0 113.7 175.17 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -92.44 -30.52 15.7 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.741 1.616 . . . . 1.0 112.942 173.246 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -138.79 150.73 46.4 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 119.08 0.855 . . . . 1.0 111.988 -171.009 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 60.3 ttp180 -143.56 112.19 6.47 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.659 1.584 . . . . 1.0 110.528 174.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -63.41 118.52 44.68 Favored Pre-proline 0 CA--C 1.547 0.85 0 C-N-CA 125.036 1.335 . . . . 1.0 111.62 177.646 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -72.01 -20.07 25.85 Favored 'Trans proline' 0 CA--C 1.542 0.902 0 C-N-CA 122.555 2.17 . . . . 1.0 113.958 -175.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -79.1 -26.02 42.97 Favored 'General case' 0 CA--C 1.549 0.91 0 N-CA-C 113.764 1.024 . . . . 1.0 113.764 -178.387 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 71.8 p -134.33 -20.87 1.84 Allowed 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 115.195 1.554 . . . . 1.0 115.195 -173.128 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 86.48 0.03 86.68 Favored Glycine 0 CA--C 1.541 1.669 0 C-N-CA 124.64 1.114 . . . . 1.0 114.819 -175.068 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 57.8 mtmt -59.24 149.24 29.08 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-N 119.093 1.446 . . . . 1.0 111.97 174.305 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 36.5 p -132.27 159.34 39.37 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 124.31 1.044 . . . . 1.0 113.282 -174.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 23.3 t90 -151.07 160.76 43.7 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.149 0.979 . . . . 1.0 111.807 175.471 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 91.9 p -139.54 -8.57 1.26 Allowed 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 115.912 1.819 . . . . 1.0 115.912 -169.416 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 117.63 -21.95 10.3 Favored Glycine 0 CA--C 1.538 1.482 0 C-N-CA 124.272 0.939 . . . . 1.0 113.819 -175.33 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 84.0 mtp180 -72.13 149.3 44.86 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.718 1.207 . . . . 1.0 112.066 178.67 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 61.33 -166.01 15.79 Favored Glycine 0 CA--C 1.542 1.724 0 C-N-CA 124.206 0.907 . . . . 1.0 114.469 179.469 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -66.31 141.54 57.96 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.715 0.806 . . . . 1.0 111.251 172.111 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -64.1 134.12 95.84 Favored Pre-proline 0 CA--C 1.555 1.162 0 C-N-CA 123.856 0.863 . . . . 1.0 111.744 178.425 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_exo -59.3 157.83 29.04 Favored 'Trans proline' 0 CA--C 1.541 0.832 0 C-N-CA 123.573 2.849 . . . . 1.0 114.976 175.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -66.67 -39.54 88.21 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 113.475 0.917 . . . . 1.0 113.475 177.296 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 61.9 p-90 -64.1 -31.38 72.55 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.607 0.763 . . . . 1.0 113.042 177.072 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.74 -34.95 71.95 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.489 1.516 . . . . 1.0 113.229 176.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -78.32 46.72 2.81 Favored Glycine 0 CA--C 1.539 1.55 0 C-N-CA 125.895 1.712 . . . . 1.0 115.059 -173.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -135.5 -64.02 0.65 Allowed 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.663 1.185 . . . . 1.0 111.595 -178.425 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -157.56 79.81 3.38 Favored Pre-proline 0 CA--C 1.547 0.837 0 C-N-CA 125.173 1.389 . . . . 1.0 109.704 175.645 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -43.84 -41.63 11.9 Favored 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 124.643 3.562 . . . . 1.0 116.59 -169.757 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.91 -22.9 67.08 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 114.598 1.333 . . . . 1.0 114.598 -178.499 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.2 -25.86 67.12 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 113.873 1.064 . . . . 1.0 113.873 -177.59 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 1.8 p90 -131.91 14.4 4.79 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.582 1.553 . . . . 1.0 112.316 -177.311 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.9 tt -71.22 128.9 37.47 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.548 1.139 . . . . 1.0 108.544 169.549 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 70.3 mt -66.21 120.13 12.71 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.599 0 C-N-CA 124.646 1.178 . . . . 1.0 109.676 -178.754 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -139.28 162.85 49.56 Favored Pre-proline 0 CA--C 1.55 0.97 0 C-N-CA 125.558 1.543 . . . . 1.0 111.373 -170.198 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -61.02 -15.6 40.21 Favored 'Trans proline' 0 CA--C 1.542 0.88 0 C-N-CA 123.889 3.059 . . . . 1.0 117.004 -179.133 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 23.5 t70 49.66 24.69 1.25 Allowed 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 126.718 2.007 . . . . 1.0 114.563 -170.012 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 80.5 mt -142.15 159.33 59.06 Favored Pre-proline 0 CA--C 1.549 0.922 0 C-N-CA 127.467 2.307 . . . . 1.0 110.57 -179.087 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -52.63 145.98 36.25 Favored 'Trans proline' 0 CA--C 1.54 0.789 0 C-N-CA 123.734 2.956 . . . . 1.0 113.995 171.26 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -140.53 31.81 1.87 Allowed 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.736 1.214 . . . . 1.0 112.825 177.41 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 32.6 mm -133.1 74.32 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 127.514 2.326 . . . . 1.0 107.354 -177.16 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 56.1 tp -149.66 144.96 26.47 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.735 1.614 . . . . 1.0 110.987 -171.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 . . . . . 0 C--O 1.254 1.339 0 C-N-CA 126.236 1.814 . . . . 1.0 111.641 179.302 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 14.1 tpt . . . . . 0 N--CA 1.494 1.759 0 N-CA-C 110.728 -0.101 . . . . 1.0 110.728 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 29.2 m -61.91 156.94 19.57 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.748 1.219 . . . . 1.0 113.428 178.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 44.3 p -136.83 163.4 30.73 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.497 1.519 . . . . 1.0 112.026 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 17.0 m -140.4 156.02 69.78 Favored Pre-proline 0 N--CA 1.48 1.07 0 C-N-CA 125.575 1.55 . . . . 1.0 111.98 -177.589 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -67.61 164.74 29.92 Favored 'Trans proline' 0 CA--C 1.538 0.713 0 C-N-CA 122.783 2.322 . . . . 1.0 112.482 170.228 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -112.85 -19.26 12.04 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 126.788 2.035 . . . . 1.0 112.24 176.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -145.11 145.59 31.47 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.908 1.283 . . . . 1.0 110.268 -178.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 52.2 ttt180 -146.69 119.74 8.81 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.475 1.11 . . . . 1.0 111.797 173.187 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -64.51 118.43 47.45 Favored Pre-proline 0 CA--C 1.547 0.86 0 C-N-CA 124.963 1.305 . . . . 1.0 111.676 175.566 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_endo -72.86 -20.55 22.28 Favored 'Trans proline' 0 CA--C 1.539 0.773 0 C-N-CA 122.574 2.183 . . . . 1.0 113.973 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -74.57 -33.0 62.58 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 113.561 0.949 . . . . 1.0 113.561 -176.751 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 49.5 p -131.39 -14.89 3.27 Favored 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 114.762 1.393 . . . . 1.0 114.762 -175.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 91.69 -2.01 76.2 Favored Glycine 0 CA--C 1.537 1.419 0 C-N-CA 125.034 1.302 . . . . 1.0 115.328 177.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -59.59 147.21 37.99 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 125.625 1.57 . . . . 1.0 112.535 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 22.8 p -126.88 155.59 42.75 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 125.093 1.357 . . . . 1.0 113.167 -172.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 26.9 t90 -152.4 165.02 36.32 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.061 1.344 . . . . 1.0 110.907 172.517 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 91.4 p -135.23 -12.85 2.12 Favored 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 116.965 2.209 . . . . 1.0 116.965 -169.458 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 119.96 -17.87 9.89 Favored Glycine 0 CA--C 1.538 1.521 0 C-N-CA 124.376 0.988 . . . . 1.0 114.234 -175.439 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 59.2 ttt85 -68.38 129.0 38.64 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.559 1.143 . . . . 1.0 111.629 177.179 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 65.7 -165.64 36.77 Favored Glycine 0 CA--C 1.54 1.599 0 C-N-CA 123.812 0.72 . . . . 1.0 114.083 -179.402 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 44.3 ttm180 -66.57 141.81 57.71 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.868 0.867 . . . . 1.0 111.152 172.283 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 20.4 pm0 -59.08 149.24 67.9 Favored Pre-proline 0 CA--C 1.551 1.003 0 C-N-CA 124.307 1.043 . . . . 1.0 113.28 176.077 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -74.5 160.06 42.12 Favored 'Trans proline' 0 CA--C 1.54 0.775 0 C-N-CA 123.081 2.52 . . . . 1.0 112.252 178.423 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.82 -35.52 73.02 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 114.521 1.304 . . . . 1.0 114.521 -173.673 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 53.1 p-90 -63.9 -26.99 68.85 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 113.672 0.99 . . . . 1.0 113.672 177.703 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.8 tp -70.35 -20.79 62.95 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 113.796 1.036 . . . . 1.0 113.796 -178.654 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -49.67 -40.72 33.45 Favored Glycine 0 CA--C 1.534 1.229 0 C-N-CA 125.953 1.74 . . . . 1.0 116.834 -169.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -62.24 -55.8 24.83 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 113.488 0.922 . . . . 1.0 113.488 -173.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -170.59 98.89 0.43 Allowed Pre-proline 0 CA--C 1.55 0.946 0 C-N-CA 125.125 1.37 . . . . 1.0 111.065 -175.01 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo -42.37 -37.3 4.99 Favored 'Trans proline' 0 C--N 1.352 0.756 0 C-N-CA 124.813 3.675 . . . . 1.0 116.248 179.104 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -60.85 -21.05 62.83 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 114.863 1.431 . . . . 1.0 114.863 179.1 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.96 -24.44 65.16 Favored 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 113.932 1.086 . . . . 1.0 113.932 176.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -139.41 0.88 1.92 Allowed 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.995 1.318 . . . . 1.0 114.487 -172.188 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 3.3 mt -54.18 149.69 9.33 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.518 1.527 . . . . 1.0 113.498 170.064 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 45.2 mt -122.05 130.65 74.39 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 C-N-CA 126.751 2.021 . . . . 1.0 108.259 175.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -134.86 149.5 70.74 Favored Pre-proline 0 CA--C 1.549 0.929 0 C-N-CA 125.172 1.389 . . . . 1.0 111.312 176.733 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -81.23 -7.09 13.0 Favored 'Trans proline' 0 CA--C 1.543 0.963 0 C-N-CA 123.236 2.624 . . . . 1.0 115.156 -172.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 25.0 t0 47.47 34.59 3.5 Favored 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 126.057 1.743 . . . . 1.0 113.975 -171.072 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 16.6 tp -145.72 138.81 14.19 Favored Pre-proline 0 CA--C 1.549 0.912 0 C-N-CA 126.656 1.982 . . . . 1.0 109.647 -176.242 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -66.49 139.38 53.62 Favored 'Trans proline' 0 CA--C 1.542 0.906 0 C-N-CA 122.507 2.138 . . . . 1.0 111.818 176.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -153.26 169.37 23.22 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.246 1.418 . . . . 1.0 112.075 -174.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . 0.274 0.2 OUTLIER -84.94 57.23 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 CA-C-O 123.98 1.847 . . . . 1.0 110.52 178.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 97.2 mt -127.66 6.01 6.17 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 126.949 2.1 . . . . 1.0 113.038 -174.256 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 . . . . . 0 C--O 1.255 1.368 0 C-N-CA 126.658 1.983 . . . . 1.0 112.015 -179.764 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 28.1 ttt . . . . . 0 N--CA 1.494 1.768 0 N-CA-C 110.405 -0.22 . . . . 1.0 110.405 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 18.6 m -70.52 -18.57 62.94 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 115.35 1.611 . . . . 1.0 115.35 -171.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 45.7 p -137.42 165.96 24.99 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 126.143 1.777 . . . . 1.0 111.946 -177.127 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 9.8 p -146.07 140.65 15.74 Favored Pre-proline 0 N--CA 1.48 1.03 0 C-N-CA 124.891 1.276 . . . . 1.0 111.057 178.654 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -68.15 164.2 33.08 Favored 'Trans proline' 0 CA--C 1.541 0.874 0 C-N-CA 123.391 2.727 . . . . 1.0 113.045 175.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 23.8 ttmm -122.04 -22.94 5.51 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 126.382 1.873 . . . . 1.0 112.38 178.008 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -140.41 147.23 39.41 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.74 1.216 . . . . 1.0 110.284 179.069 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 60.7 ttp180 -144.5 110.34 5.36 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.499 1.12 . . . . 1.0 111.164 177.438 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -59.99 115.92 15.02 Favored Pre-proline 0 CA--C 1.546 0.802 0 C-N-CA 125.54 1.536 . . . . 1.0 111.732 177.706 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -71.37 -19.24 29.12 Favored 'Trans proline' 0 CA--C 1.541 0.868 0 C-N-CA 122.409 2.073 . . . . 1.0 113.677 -177.499 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -77.37 -33.4 55.23 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 113.717 1.006 . . . . 1.0 113.717 -177.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 48.7 p -134.92 -14.2 2.11 Favored 'General case' 0 N--CA 1.482 1.15 0 N-CA-C 115.383 1.623 . . . . 1.0 115.383 -172.606 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 88.4 2.25 80.03 Favored Glycine 0 CA--C 1.539 1.538 0 C-N-CA 124.445 1.021 . . . . 1.0 115.242 179.184 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -59.61 149.52 30.05 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 125.417 1.487 . . . . 1.0 112.052 175.06 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 37.5 p -135.86 159.91 40.22 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 113.976 1.102 . . . . 1.0 113.976 -175.14 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 22.8 t90 -150.88 164.63 35.84 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.543 1.537 . . . . 1.0 110.15 171.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 88.1 p -135.71 -9.9 2.11 Favored 'General case' 0 N--CA 1.481 1.121 0 N-CA-C 117.873 2.546 . . . . 1.0 117.873 -169.051 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 120.3 -0.89 12.87 Favored Glycine 0 CA--C 1.538 1.521 0 CA-C-N 119.787 1.176 . . . . 1.0 115.602 -177.495 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -135.31 149.5 49.78 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 125.505 1.522 . . . . 1.0 111.82 -173.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 70.66 -178.45 32.1 Favored Glycine 0 CA--C 1.539 1.591 0 C-N-CA 124.177 0.894 . . . . 1.0 113.071 -172.667 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 39.6 ttp-105 -60.25 124.8 21.39 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.809 0.843 . . . . 1.0 111.569 177.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -73.06 132.13 82.89 Favored Pre-proline 0 CA--C 1.551 1.018 0 C-N-CA 124.875 1.27 . . . . 1.0 110.922 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -75.16 156.73 42.31 Favored 'Trans proline' 0 CA--C 1.543 0.935 0 C-N-CA 123.009 2.473 . . . . 1.0 113.853 -175.293 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.33 -35.74 80.03 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 115.54 1.681 . . . . 1.0 115.54 -169.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 66.6 p-90 -61.91 -31.58 71.89 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 118.666 0.666 . . . . 1.0 112.704 175.656 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.9 tt -80.4 -43.07 21.65 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.855 1.262 . . . . 1.0 112.16 -169.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -55.37 -31.03 56.58 Favored Glycine 0 CA--C 1.534 1.228 0 C-N-CA 124.844 1.211 . . . . 1.0 116.086 -177.703 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 50.8 t30 -58.58 -47.5 84.06 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.857 1.263 . . . . 1.0 113.918 -176.72 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -160.81 77.69 2.47 Favored Pre-proline 0 CA--C 1.55 0.949 0 C-N-CA 124.648 1.179 . . . . 1.0 111.008 178.121 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -47.33 -41.16 28.57 Favored 'Trans proline' 0 C--N 1.353 0.769 0 C-N-CA 124.452 3.435 . . . . 1.0 116.589 -169.726 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.56 -18.84 65.59 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 114.837 1.421 . . . . 1.0 114.837 -176.038 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.39 -28.51 69.74 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 114.285 1.217 . . . . 1.0 114.285 -176.499 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -136.72 19.49 3.07 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 126.058 1.743 . . . . 1.0 112.68 -173.341 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 3.0 tt -71.21 124.06 23.61 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.965 1.306 . . . . 1.0 109.982 172.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 64.1 mt -70.1 126.46 30.31 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 124.945 1.298 . . . . 1.0 109.933 -178.437 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 21.7 mm-40 -137.32 151.9 72.31 Favored Pre-proline 0 CA--C 1.551 0.996 0 C-N-CA 125.714 1.606 . . . . 1.0 109.563 172.517 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -72.8 -26.04 16.27 Favored 'Trans proline' 0 C--N 1.351 0.666 0 C-N-CA 122.647 2.231 . . . . 1.0 115.993 -169.494 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -170.89 -39.73 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 126.517 1.927 . . . . 1.0 112.434 175.675 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 65.6 mt -140.23 161.85 53.13 Favored Pre-proline 0 CA--C 1.548 0.878 0 C-N-CA 127.811 2.444 . . . . 1.0 110.605 176.269 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -52.42 139.3 55.84 Favored 'Trans proline' 0 C--N 1.352 0.712 0 C-N-CA 123.421 2.748 . . . . 1.0 114.025 177.354 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -76.21 33.02 0.12 Allowed 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 125.535 1.534 . . . . 1.0 114.18 175.397 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 21.5 pt -138.27 52.35 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 C-N-CA 127.513 2.325 . . . . 1.0 110.685 -178.363 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 22.0 tp -135.76 1.81 2.83 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 126.064 1.745 . . . . 1.0 113.81 -169.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 . . . . . 0 N--CA 1.486 1.329 0 C-N-CA 128.422 2.689 . . . . 1.0 115.414 -175.88 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 25.4 ptt? . . . . . 0 N--CA 1.497 1.921 0 N-CA-C 111.885 0.328 . . . . 1.0 111.885 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 58.7 p -70.43 -14.89 62.74 Favored 'General case' 0 N--CA 1.481 1.093 0 N-CA-C 115.974 1.842 . . . . 1.0 115.974 -174.16 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 42.3 p -134.14 165.93 23.93 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 125.646 1.578 . . . . 1.0 112.488 -178.229 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 16.8 m -140.47 155.12 69.98 Favored Pre-proline 0 N--CA 1.482 1.15 0 C-N-CA 125.397 1.479 . . . . 1.0 111.965 -178.134 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -67.72 166.09 25.41 Favored 'Trans proline' 0 CA--C 1.541 0.849 0 C-N-CA 123.171 2.581 . . . . 1.0 112.76 171.046 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -120.54 -23.4 6.1 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 126.598 1.959 . . . . 1.0 112.629 179.191 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 -140.63 148.03 40.26 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 124.744 1.218 . . . . 1.0 110.429 -179.368 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 51.2 ttt180 -144.52 118.82 9.56 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 123.697 0.799 . . . . 1.0 111.822 172.565 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -61.27 117.72 29.49 Favored Pre-proline 0 CA--C 1.546 0.8 0 C-N-CA 125.922 1.689 . . . . 1.0 111.848 178.176 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -72.3 -19.83 25.11 Favored 'Trans proline' 0 CA--C 1.542 0.875 0 C-N-CA 122.533 2.155 . . . . 1.0 113.877 -177.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -74.8 -38.36 62.11 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 113.593 0.96 . . . . 1.0 113.593 -177.226 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 56.2 p -136.44 -10.59 1.9 Allowed 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 115.216 1.561 . . . . 1.0 115.216 -173.32 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 94.4 1.66 64.22 Favored Glycine 0 CA--C 1.535 1.302 0 CA-C-O 118.64 -1.089 . . . . 1.0 115.788 172.788 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 48.9 mttp -57.95 149.24 23.45 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 125.561 1.545 . . . . 1.0 112.166 177.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 24.8 p -126.12 155.53 41.49 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 124.623 1.169 . . . . 1.0 113.632 -176.104 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 20.5 t90 -147.66 165.19 31.18 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.26 1.424 . . . . 1.0 110.498 170.71 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 90.9 p -136.28 5.5 3.0 Favored 'General case' 0 N--CA 1.485 1.279 0 N-CA-C 117.215 2.302 . . . . 1.0 117.215 -168.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 95.24 4.08 61.3 Favored Glycine 0 CA--C 1.54 1.595 0 CA-C-N 119.483 1.038 . . . . 1.0 115.038 -179.354 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -137.61 155.75 48.83 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 125.807 1.643 . . . . 1.0 111.636 -174.764 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 71.42 -167.68 51.75 Favored Glycine 0 CA--C 1.537 1.446 0 C-N-CA 123.979 0.799 . . . . 1.0 113.721 179.292 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -64.15 102.73 0.53 Allowed 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.957 1.303 . . . . 1.0 111.483 177.35 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 42.6 tt0 -60.97 134.91 92.93 Favored Pre-proline 0 CA--C 1.551 1.012 0 C-N-CA 124.822 1.249 . . . . 1.0 111.699 178.457 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -76.68 162.42 32.81 Favored 'Trans proline' 0 CA--C 1.541 0.872 0 C-N-CA 123.07 2.514 . . . . 1.0 113.26 -179.481 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.81 -37.99 88.9 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 114.545 1.313 . . . . 1.0 114.545 -172.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 63.8 p-90 -62.85 -24.15 67.64 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 113.573 0.953 . . . . 1.0 113.573 -179.5 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.77 -28.49 69.61 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.476 1.11 . . . . 1.0 112.89 175.048 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -80.65 46.66 3.34 Favored Glycine 0 CA--C 1.538 1.495 0 C-N-CA 125.814 1.673 . . . . 1.0 115.524 -170.737 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -142.25 -60.97 0.45 Allowed 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 118.347 1.073 . . . . 1.0 112.906 178.118 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -154.71 79.47 4.77 Favored Pre-proline 0 CA--C 1.544 0.733 0 C-N-CA 124.275 1.03 . . . . 1.0 110.755 179.286 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_exo -45.99 -39.68 19.95 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 124.469 3.446 . . . . 1.0 116.551 -170.506 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.99 -21.29 66.4 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 114.657 1.354 . . . . 1.0 114.657 -178.552 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.51 -27.21 67.59 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 113.785 1.032 . . . . 1.0 113.785 -177.702 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -132.36 12.07 4.56 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 125.47 1.508 . . . . 1.0 112.778 -175.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 3.6 tt -66.17 131.63 46.59 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.35 1.06 . . . . 1.0 108.566 169.615 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 77.6 mt -66.18 110.59 1.4 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 C-N-CA 124.3 1.04 . . . . 1.0 108.973 177.502 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -140.99 164.62 34.79 Favored Pre-proline 0 CA--C 1.547 0.847 0 C-N-CA 125.252 1.421 . . . . 1.0 111.651 -169.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -54.61 -9.02 1.46 Allowed 'Trans proline' 0 C--N 1.355 0.91 0 C-N-CA 124.738 3.625 . . . . 1.0 118.266 -175.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -57.43 -24.03 53.12 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 125.178 1.391 . . . . 1.0 113.065 169.505 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.3 pp -125.42 158.92 62.6 Favored Pre-proline 0 CA--C 1.55 0.958 0 C-N-CA 127.706 2.402 . . . . 1.0 111.114 176.371 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -75.87 66.64 6.74 Favored 'Trans proline' 0 CA--C 1.541 0.838 0 C-N-CA 124.578 3.519 . . . . 1.0 113.296 -175.623 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -76.36 52.7 0.78 Allowed 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 127.763 2.425 . . . . 1.0 112.86 -178.282 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . 0.304 8.8 tp 36.01 58.36 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 127.579 2.352 . . . . 1.0 113.624 -171.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 90.8 mt -71.87 -18.26 62.07 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 113.528 -1.669 . . . . 1.0 114.313 -169.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 . . . . . 0 C--O 1.254 1.305 0 C-N-CA 126.169 1.788 . . . . 1.0 112.434 -179.973 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 65.7 mtt . . . . . 0 N--CA 1.497 1.886 0 N-CA-C 110.319 -0.252 . . . . 1.0 110.319 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 20.2 m -133.88 12.15 3.99 Favored 'General case' 0 N--CA 1.485 1.297 0 N-CA-C 114.126 1.158 . . . . 1.0 114.126 -169.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 72.4 p -72.48 161.7 30.45 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.311 1.044 . . . . 1.0 112.727 176.561 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.7 p -146.56 139.53 14.4 Favored Pre-proline 0 N--CA 1.478 0.954 0 C-N-CA 125.166 1.386 . . . . 1.0 110.97 178.214 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -68.72 165.96 27.78 Favored 'Trans proline' 0 CA--C 1.538 0.686 0 C-N-CA 123.677 2.918 . . . . 1.0 113.644 177.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -121.02 -29.26 4.61 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 126.31 1.844 . . . . 1.0 112.663 -179.484 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -135.1 148.22 49.75 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 125.149 1.38 . . . . 1.0 110.349 -177.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 51.3 ttt180 -145.61 117.02 7.98 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.14 0.976 . . . . 1.0 111.859 175.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -62.2 118.46 40.05 Favored Pre-proline 0 CA--C 1.549 0.906 0 C-N-CA 125.309 1.444 . . . . 1.0 111.926 178.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -71.18 -20.67 28.06 Favored 'Trans proline' 0 CA--C 1.539 0.774 0 C-N-CA 122.62 2.213 . . . . 1.0 113.976 -177.46 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -77.26 -31.36 54.89 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 113.736 1.013 . . . . 1.0 113.736 -177.613 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 51.6 p -132.63 -17.01 2.58 Favored 'General case' 0 N--CA 1.481 1.122 0 N-CA-C 115.205 1.557 . . . . 1.0 115.205 -173.002 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 88.65 -0.79 83.18 Favored Glycine 0 CA--C 1.538 1.477 0 C-N-CA 124.77 1.176 . . . . 1.0 115.124 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -59.31 149.35 29.13 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 125.746 1.619 . . . . 1.0 112.306 176.45 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 24.5 p -126.57 157.68 38.2 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 124.723 1.209 . . . . 1.0 113.518 -174.15 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 26.0 t90 -145.97 161.63 39.64 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.191 1.396 . . . . 1.0 110.309 170.004 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.6 m -128.19 14.77 6.74 Favored 'General case' 0 N--CA 1.481 1.105 0 N-CA-C 116.53 2.048 . . . . 1.0 116.53 -168.279 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 85.08 7.7 83.12 Favored Glycine 0 CA--C 1.538 1.508 0 O-C-N 121.192 -0.942 . . . . 1.0 115.349 174.721 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 83.1 mtp180 -135.58 153.96 51.51 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 125.535 1.534 . . . . 1.0 111.957 -177.622 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 66.34 -170.68 30.24 Favored Glycine 0 CA--C 1.54 1.606 0 C-N-CA 123.862 0.744 . . . . 1.0 113.774 -174.269 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 -64.12 111.34 2.51 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.241 1.016 . . . . 1.0 111.229 175.61 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -61.28 148.21 85.73 Favored Pre-proline 0 CA--C 1.55 0.961 0 C-N-CA 123.678 0.791 . . . . 1.0 112.689 176.01 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -74.46 165.3 32.03 Favored 'Trans proline' 0 CA--C 1.541 0.835 0 C-N-CA 123.258 2.639 . . . . 1.0 112.831 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.88 -37.69 77.14 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 114.297 1.221 . . . . 1.0 114.297 -173.35 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 64.1 p-90 -65.91 -23.94 66.74 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 113.695 0.998 . . . . 1.0 113.695 177.019 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.24 -33.42 73.25 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.141 0.976 . . . . 1.0 112.52 177.482 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -78.02 45.74 2.56 Favored Glycine 0 CA--C 1.537 1.412 0 C-N-CA 125.771 1.653 . . . . 1.0 115.566 -171.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -142.56 -57.44 0.44 Allowed 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 118.236 1.018 . . . . 1.0 113.011 178.558 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -155.03 79.54 4.58 Favored Pre-proline 0 CA--C 1.548 0.879 0 C-N-CA 123.974 0.909 . . . . 1.0 111.455 -179.537 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -46.82 -34.08 15.27 Favored 'Trans proline' 0 C--N 1.353 0.806 0 C-N-CA 124.607 3.538 . . . . 1.0 116.898 -172.447 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.47 -24.47 67.17 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 114.449 1.277 . . . . 1.0 114.449 179.562 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.79 -24.59 65.33 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 114.654 1.353 . . . . 1.0 114.654 -171.687 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -136.33 20.06 3.16 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 125.299 1.44 . . . . 1.0 113.266 -170.331 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 10.4 mt -60.96 140.93 57.65 Favored 'General case' 0 N--CA 1.474 0.732 0 O-C-N 120.772 -1.205 . . . . 1.0 110.563 169.467 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 76.5 mt -78.38 120.43 29.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 123.655 0.782 . . . . 1.0 108.917 173.19 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -140.62 154.69 69.4 Favored Pre-proline 0 CA--C 1.548 0.889 0 C-N-CA 125.524 1.529 . . . . 1.0 111.127 -177.486 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -76.21 66.07 7.06 Favored 'Trans proline' 0 CA--C 1.546 1.111 0 C-N-CA 124.537 3.491 . . . . 1.0 112.375 176.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -55.96 -24.91 41.28 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 125.873 1.669 . . . . 1.0 114.318 178.577 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 85.3 mt -135.08 156.35 78.35 Favored Pre-proline 0 CA--C 1.549 0.926 0 C-N-CA 127.778 2.431 . . . . 1.0 110.025 169.778 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -51.36 143.32 34.84 Favored 'Trans proline' 0 CA--C 1.542 0.907 0 C-N-CA 123.789 2.992 . . . . 1.0 114.643 177.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -147.59 160.33 42.77 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.364 1.466 . . . . 1.0 111.774 178.498 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . 0.292 7.3 tp 31.45 62.15 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 C-N-CA 127.818 2.447 . . . . 1.0 114.727 -178.791 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 65.5 tp -146.59 -44.05 0.19 Allowed 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.3 1.44 . . . . 1.0 113.019 -175.486 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 . . . . . 0 C--O 1.253 1.254 0 C-N-CA 126.149 1.779 . . . . 1.0 113.314 -179.258 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 27.9 ttt . . . . . 0 N--CA 1.494 1.737 0 CA-C-O 118.673 -0.68 . . . . 1.0 111.322 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 73.7 p -137.08 6.13 2.83 Favored 'General case' 0 N--CA 1.485 1.32 0 N-CA-C 115.037 1.495 . . . . 1.0 115.037 -169.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 50.7 p -138.85 162.03 35.8 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 125.392 1.477 . . . . 1.0 112.026 -177.474 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 16.4 m -140.68 155.52 69.4 Favored Pre-proline 0 N--CA 1.482 1.133 0 C-N-CA 125.63 1.572 . . . . 1.0 111.619 -178.403 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -68.87 165.71 28.91 Favored 'Trans proline' 0 CA--C 1.542 0.89 0 C-N-CA 122.976 2.451 . . . . 1.0 112.537 170.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 56.6 tttp -128.32 -23.14 3.29 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 126.521 1.929 . . . . 1.0 112.79 177.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -139.37 144.64 38.27 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 125.122 1.369 . . . . 1.0 109.819 -177.22 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 52.7 ttt180 -145.21 121.76 11.07 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 124.542 1.137 . . . . 1.0 111.507 175.385 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -64.7 117.67 40.54 Favored Pre-proline 0 CA--C 1.546 0.809 0 C-N-CA 125.026 1.331 . . . . 1.0 111.683 175.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -71.59 -20.98 26.25 Favored 'Trans proline' 0 CA--C 1.544 0.977 0 C-N-CA 122.465 2.11 . . . . 1.0 113.726 -179.263 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -75.23 -34.13 61.4 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 113.799 1.037 . . . . 1.0 113.799 -176.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 46.1 p -132.63 -14.85 2.8 Favored 'General case' 0 N--CA 1.482 1.147 0 N-CA-C 114.733 1.383 . . . . 1.0 114.733 -174.122 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 92.08 -0.98 73.17 Favored Glycine 0 CA--C 1.537 1.468 0 C-N-CA 124.768 1.175 . . . . 1.0 115.537 177.159 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -58.87 148.8 28.8 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 125.634 1.574 . . . . 1.0 112.509 178.587 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 14.3 p -128.04 153.49 46.72 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 124.789 1.236 . . . . 1.0 113.412 -172.2 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 28.0 t90 -149.41 166.52 28.82 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.655 1.582 . . . . 1.0 110.596 173.319 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 87.5 p -133.37 6.62 3.84 Favored 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 117.205 2.298 . . . . 1.0 117.205 -168.585 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 88.73 18.7 54.06 Favored Glycine 0 CA--C 1.537 1.411 0 CA-C-N 119.357 0.981 . . . . 1.0 114.629 178.62 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 78.9 mtp85 -125.42 140.37 52.85 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.819 1.648 . . . . 1.0 110.729 -178.03 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 66.43 -169.83 32.2 Favored Glycine 0 CA--C 1.54 1.624 0 C-N-CA 123.581 0.61 . . . . 1.0 113.094 -169.66 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 80.7 ttt180 -63.46 139.0 58.72 Favored 'General case' 0 N--CA 1.478 0.94 0 O-C-N 121.728 -0.866 . . . . 1.0 111.28 173.271 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -58.49 153.28 40.17 Favored Pre-proline 0 CA--C 1.549 0.935 0 C-N-CA 123.681 0.792 . . . . 1.0 113.13 176.111 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -73.86 162.08 40.11 Favored 'Trans proline' 0 CA--C 1.541 0.846 0 C-N-CA 122.909 2.406 . . . . 1.0 111.576 169.705 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -65.98 -37.79 86.85 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 113.448 0.907 . . . . 1.0 113.448 -178.469 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 37.5 p-90 -62.15 -21.95 65.47 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 113.936 1.087 . . . . 1.0 113.936 179.706 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 7.0 tp -68.32 -15.4 63.55 Favored 'General case' 0 CA--C 1.55 0.943 0 N-CA-C 113.439 0.903 . . . . 1.0 113.439 176.51 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 50.45 -128.6 28.08 Favored Glycine 0 CA--C 1.538 1.5 0 C-N-CA 124.367 0.984 . . . . 1.0 113.238 -178.654 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -126.18 14.17 7.8 Favored 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 125.059 1.344 . . . . 1.0 113.068 178.363 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -147.23 79.18 9.93 Favored Pre-proline 0 CA--C 1.551 0.983 0 C-N-CA 125.025 1.33 . . . . 1.0 111.529 -179.03 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -51.93 -22.08 13.46 Favored 'Trans proline' 0 C--N 1.352 0.723 0 C-N-CA 125.077 3.852 . . . . 1.0 117.621 -174.472 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -54.48 -29.31 49.63 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 115.291 1.589 . . . . 1.0 115.291 -173.381 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -70.62 -20.98 62.69 Favored 'General case' 0 CA--C 1.549 0.913 0 N-CA-C 114.637 1.347 . . . . 1.0 114.637 178.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -132.88 -5.9 3.14 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 125.607 1.563 . . . . 1.0 113.355 -174.185 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 3.1 mt -54.87 131.25 43.85 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.042 1.337 . . . . 1.0 110.163 169.436 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 76.1 mt -69.84 119.17 15.41 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 N-CA-C 108.199 -1.038 . . . . 1.0 108.199 172.046 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -143.02 150.57 53.31 Favored Pre-proline 0 CA--C 1.547 0.829 0 C-N-CA 125.531 1.532 . . . . 1.0 111.013 -169.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -68.93 135.6 32.91 Favored 'Trans proline' 0 CA--C 1.536 0.611 0 C-N-CA 122.606 2.204 . . . . 1.0 112.18 -175.048 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -63.33 -31.28 72.39 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.029 0.932 . . . . 1.0 113.439 173.084 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -66.16 151.65 95.26 Favored Pre-proline 0 CA--C 1.552 1.021 0 C-N-CA 125.736 1.614 . . . . 1.0 112.33 179.182 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -67.5 154.98 72.12 Favored 'Trans proline' 0 CA--C 1.538 0.72 0 C-N-CA 123.452 2.768 . . . . 1.0 112.607 175.41 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -65.48 165.67 11.7 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 124.337 1.055 . . . . 1.0 113.039 174.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 7.3 tp -79.33 51.94 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 CA-C-O 124.138 1.923 . . . . 1.0 112.306 176.201 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 42.4 tp -68.98 -23.42 64.11 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 126.53 1.932 . . . . 1.0 113.292 177.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 . . . . . 0 C--O 1.254 1.34 0 C-N-CA 126.116 1.767 . . . . 1.0 114.668 179.196 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 24.2 mmt . . . . . 0 N--CA 1.496 1.843 0 CA-C-O 119.839 -0.124 . . . . 1.0 110.667 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 19.4 m -133.11 11.35 4.22 Favored 'General case' 0 N--CA 1.483 1.186 0 N-CA-C 114.244 1.201 . . . . 1.0 114.244 -169.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 13.1 t -145.7 162.37 37.73 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.201 1.4 . . . . 1.0 112.112 177.032 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 16.8 m -140.91 154.59 68.69 Favored Pre-proline 0 N--CA 1.479 1.001 0 C-N-CA 126.174 1.79 . . . . 1.0 111.819 -177.02 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -68.17 162.03 41.97 Favored 'Trans proline' 0 CA--C 1.538 0.724 0 C-N-CA 122.67 2.246 . . . . 1.0 112.297 171.621 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 58.1 mtpt -111.53 -25.21 9.69 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 125.74 1.616 . . . . 1.0 112.683 172.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.419 ' CD2' HD11 ' A' ' 96' ' ' LEU . 11.7 m-85 -142.55 144.98 33.15 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.601 0.76 . . . . 1.0 111.23 -172.203 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 70.6 ttp85 -143.34 113.02 6.99 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 126.394 1.878 . . . . 1.0 110.251 174.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -64.49 108.79 2.15 Favored Pre-proline 0 CA--C 1.546 0.822 0 C-N-CA 125.799 1.639 . . . . 1.0 112.494 179.442 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -57.6 -26.99 75.07 Favored 'Trans proline' 0 CA--C 1.539 0.742 0 C-N-CA 122.739 2.293 . . . . 1.0 114.434 179.398 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -76.17 -19.11 58.74 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 114.431 1.271 . . . . 1.0 114.431 -176.383 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 68.9 p -141.16 -23.24 0.75 Allowed 'General case' 0 N--CA 1.483 1.22 0 N-CA-C 115.559 1.689 . . . . 1.0 115.559 -174.736 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 86.2 0.86 86.74 Favored Glycine 0 CA--C 1.538 1.512 0 C-N-CA 124.23 0.919 . . . . 1.0 114.648 -171.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -59.09 149.03 28.98 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 119.057 1.428 . . . . 1.0 111.466 172.197 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 27.0 p -133.78 157.99 44.49 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 124.261 1.024 . . . . 1.0 113.217 -174.739 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 23.5 t90 -152.63 162.94 40.56 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.595 1.158 . . . . 1.0 111.561 176.18 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 91.9 p -141.38 0.58 1.51 Allowed 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 115.948 1.833 . . . . 1.0 115.948 -169.582 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 107.84 -19.18 33.47 Favored Glycine 0 CA--C 1.539 1.546 0 C-N-CA 124.425 1.012 . . . . 1.0 114.529 -178.191 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -69.95 135.09 49.07 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 124.767 1.227 . . . . 1.0 111.349 177.1 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 65.79 -165.91 36.66 Favored Glycine 0 CA--C 1.539 1.544 0 C-N-CA 123.689 0.662 . . . . 1.0 114.295 -179.253 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -64.51 148.36 50.85 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.1 0.96 . . . . 1.0 112.283 177.202 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -62.22 135.17 94.93 Favored Pre-proline 0 CA--C 1.552 1.023 0 C-N-CA 124.327 1.051 . . . . 1.0 111.614 175.1 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -57.42 152.8 44.68 Favored 'Trans proline' 0 C--N 1.353 0.764 0 C-N-CA 123.469 2.779 . . . . 1.0 113.541 169.402 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.52 -37.76 80.3 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 113.079 0.77 . . . . 1.0 113.079 179.068 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 40.6 p-90 -61.04 -29.49 69.76 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 113.659 0.985 . . . . 1.0 113.659 178.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.419 HD11 ' CD2' ' A' ' 77' ' ' TYR . 4.4 tp -68.03 -17.54 64.44 Favored 'General case' 0 CA--C 1.549 0.915 0 N-CA-C 114.215 1.191 . . . . 1.0 114.215 -178.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -53.24 -41.58 61.93 Favored Glycine 0 CA--C 1.534 1.281 0 C-N-CA 125.737 1.636 . . . . 1.0 117.119 -169.649 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -62.25 -54.86 34.7 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 113.695 0.998 . . . . 1.0 113.695 -171.136 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -169.07 96.73 0.52 Allowed Pre-proline 0 CA--C 1.545 0.758 0 C-N-CA 125.22 1.408 . . . . 1.0 110.558 -176.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_exo -43.71 -33.26 4.67 Favored 'Trans proline' 0 C--N 1.354 0.819 0 C-N-CA 124.952 3.768 . . . . 1.0 116.593 -176.231 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -57.47 -23.39 49.62 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 114.987 1.477 . . . . 1.0 114.987 176.557 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.85 -21.21 64.29 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 114.077 1.14 . . . . 1.0 114.077 177.163 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -133.32 -11.94 2.8 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.991 1.316 . . . . 1.0 113.7 -173.743 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 4.2 mt -53.46 149.01 8.25 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 125.594 1.558 . . . . 1.0 113.184 174.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 49.1 mt -118.06 122.96 70.91 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 C-N-CA 125.723 1.609 . . . . 1.0 108.378 179.605 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -140.06 156.84 70.16 Favored Pre-proline 0 CA--C 1.548 0.879 0 C-N-CA 125.303 1.441 . . . . 1.0 110.848 178.638 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_exo -54.58 -15.13 8.45 Favored 'Trans proline' 0 C--N 1.355 0.918 0 C-N-CA 124.679 3.586 . . . . 1.0 117.568 -178.439 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -52.87 -25.14 10.73 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 125.964 1.705 . . . . 1.0 114.182 171.524 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 9.5 tt -140.18 123.33 10.27 Favored Pre-proline 0 CA--C 1.547 0.845 0 C-N-CA 126.208 1.803 . . . . 1.0 110.148 171.183 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -47.69 114.77 1.17 Allowed 'Trans proline' 0 CA--C 1.541 0.825 0 C-N-CA 124.652 3.568 . . . . 1.0 114.103 178.344 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -50.22 106.21 0.11 Allowed 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.351 1.46 . . . . 1.0 112.504 -174.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . 0.372 4.5 tt 34.63 49.99 0.2 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.79 0 C-N-CA 127.378 2.271 . . . . 1.0 115.265 -169.571 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 42.4 mt -137.8 6.23 2.67 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 127.392 2.277 . . . . 1.0 113.08 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 . . . . . 0 C--O 1.253 1.271 0 C-N-CA 126.397 1.879 . . . . 1.0 112.223 176.641 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 66.2 mtt . . . . . 0 N--CA 1.495 1.8 0 N-CA-C 110.614 -0.143 . . . . 1.0 110.614 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 78.8 p -150.81 168.94 22.91 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.26 1.424 . . . . 1.0 112.51 -179.454 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 44.6 p -138.38 165.69 26.15 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 125.69 1.596 . . . . 1.0 112.157 -177.711 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.9 p -145.26 145.37 26.37 Favored Pre-proline 0 N--CA 1.479 0.977 0 C-N-CA 124.989 1.316 . . . . 1.0 111.272 179.165 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -52.4 164.47 1.33 Allowed 'Trans proline' 0 CA--C 1.539 0.752 0 C-N-CA 124.246 3.298 . . . . 1.0 114.94 169.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -105.98 -24.56 12.38 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 126.229 1.812 . . . . 1.0 112.851 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.407 ' CD2' HD12 ' A' ' 104' ' ' LEU . 25.2 m-85 -142.47 146.84 35.18 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 124.695 1.198 . . . . 1.0 110.715 -174.425 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 53.0 ttt180 -144.87 114.4 7.17 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.639 0.776 . . . . 1.0 112.618 171.426 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -56.66 118.13 21.06 Favored Pre-proline 0 CA--C 1.552 1.023 0 C-N-CA 126.106 1.762 . . . . 1.0 112.009 178.114 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -72.32 -21.08 23.57 Favored 'Trans proline' 0 CA--C 1.541 0.83 0 C-N-CA 122.638 2.225 . . . . 1.0 113.853 -178.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.56 -38.39 65.22 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 113.541 0.941 . . . . 1.0 113.541 -176.483 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 51.7 p -135.38 -10.75 2.18 Favored 'General case' 0 N--CA 1.482 1.152 0 N-CA-C 114.924 1.453 . . . . 1.0 114.924 -173.503 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 93.91 1.96 65.01 Favored Glycine 0 CA--C 1.537 1.413 0 CA-C-O 118.619 -1.101 . . . . 1.0 115.52 173.225 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 47.6 mttp -59.19 149.03 29.44 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 125.424 1.49 . . . . 1.0 112.23 178.521 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 24.5 p -125.15 155.93 39.16 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 124.755 1.222 . . . . 1.0 113.43 -176.477 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 22.2 t90 -150.03 164.16 36.24 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.735 1.214 . . . . 1.0 111.032 171.142 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 89.8 p -135.01 8.24 3.48 Favored 'General case' 0 N--CA 1.482 1.143 0 N-CA-C 117.249 2.314 . . . . 1.0 117.249 -168.666 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 87.01 18.57 57.65 Favored Glycine 0 CA--C 1.534 1.253 0 O-C-N 121.161 -0.962 . . . . 1.0 114.781 178.338 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? -129.55 145.44 51.47 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 126.441 1.896 . . . . 1.0 110.66 179.623 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 66.31 -167.86 35.36 Favored Glycine 0 CA--C 1.538 1.519 0 C-N-CA 123.171 0.415 . . . . 1.0 112.864 -169.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 93.7 mtm-85 -67.14 139.47 57.49 Favored 'General case' 0 N--CA 1.478 0.934 0 O-C-N 121.772 -0.84 . . . . 1.0 111.36 173.215 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -62.58 152.18 81.66 Favored Pre-proline 0 CA--C 1.547 0.851 0 N-CA-C 112.961 0.726 . . . . 1.0 112.961 173.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -76.19 160.33 36.3 Favored 'Trans proline' 0 CA--C 1.542 0.876 0 C-N-CA 122.978 2.452 . . . . 1.0 112.104 172.519 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.84 -37.23 81.34 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 113.857 1.058 . . . . 1.0 113.857 -176.294 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 60.0 p-90 -65.66 -16.54 63.84 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 114.223 1.194 . . . . 1.0 114.223 178.181 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.1 tp -68.33 -21.87 64.72 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 113.394 0.887 . . . . 1.0 113.394 176.521 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -78.07 48.38 3.03 Favored Glycine 0 CA--C 1.535 1.289 0 C-N-CA 126.383 1.944 . . . . 1.0 115.962 -169.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -143.32 -58.39 0.41 Allowed 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 118.129 0.964 . . . . 1.0 112.302 174.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -157.39 94.56 2.15 Favored Pre-proline 0 CA--C 1.544 0.731 0 C-N-CA 124.57 1.148 . . . . 1.0 110.162 178.4 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.425 ' HA ' ' CZ ' ' A' ' 103' ' ' PHE . 80.3 Cg_exo -48.23 -23.53 4.86 Favored 'Trans proline' 0 CA--C 1.541 0.868 0 C-N-CA 124.674 3.582 . . . . 1.0 117.048 -177.85 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -80.18 -22.95 41.39 Favored 'General case' 0 CA--C 1.549 0.931 0 N-CA-C 114.61 1.337 . . . . 1.0 114.61 176.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -65.42 -23.31 66.91 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 115.013 1.486 . . . . 1.0 115.013 -169.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.425 ' CZ ' ' HA ' ' A' ' 100' ' ' PRO . 0.3 OUTLIER -132.09 11.75 4.66 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 126.947 2.099 . . . . 1.0 111.837 -174.879 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.407 HD12 ' CD2' ' A' ' 77' ' ' TYR . 8.4 tp -71.71 126.77 30.55 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.727 1.211 . . . . 1.0 110.737 -175.03 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 75.1 mt -69.32 129.57 33.83 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 N-CA-C 108.758 -0.831 . . . . 1.0 108.758 173.005 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -146.42 152.19 45.4 Favored Pre-proline 0 CA--C 1.541 0.629 0 C-N-CA 125.701 1.601 . . . . 1.0 111.03 -171.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -67.61 144.7 67.39 Favored 'Trans proline' 0 CA--C 1.537 0.658 0 C-N-CA 122.449 2.099 . . . . 1.0 112.31 -176.55 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -58.05 -22.15 48.76 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 125.628 1.571 . . . . 1.0 115.107 -178.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 83.9 mt -137.34 150.39 68.66 Favored Pre-proline 0 CA--C 1.547 0.856 0 C-N-CA 127.192 2.197 . . . . 1.0 110.796 176.648 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -68.33 153.12 74.94 Favored 'Trans proline' 0 CA--C 1.539 0.732 0 C-N-CA 123.253 2.635 . . . . 1.0 113.008 -178.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -67.46 165.35 16.86 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.379 1.072 . . . . 1.0 112.847 173.599 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 38.8 mt -83.02 62.84 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 125.742 1.617 . . . . 1.0 108.372 174.762 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 31.0 tp -135.32 -9.73 2.22 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 126.831 2.053 . . . . 1.0 113.509 -169.77 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 . . . . . 0 C--O 1.253 1.271 0 C-N-CA 126.158 1.783 . . . . 1.0 112.311 -179.953 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.754 0 N-CA-C 111.719 0.266 . . . . 1.0 111.719 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 49.2 m -141.93 162.41 35.53 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 125.22 1.408 . . . . 1.0 112.181 -175.286 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 14.0 t -143.44 165.66 26.92 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 125.146 1.378 . . . . 1.0 111.954 176.109 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 16.7 m -140.5 154.09 69.04 Favored Pre-proline 0 N--CA 1.478 0.941 0 C-N-CA 126.224 1.809 . . . . 1.0 111.89 -175.307 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -67.05 164.98 27.94 Favored 'Trans proline' 0 C--N 1.351 0.687 0 C-N-CA 123.155 2.57 . . . . 1.0 113.126 173.389 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 30.9 mtpp -115.48 -23.72 8.68 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 125.544 1.538 . . . . 1.0 113.144 178.222 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 31.6 m-85 -140.19 147.61 40.35 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.826 1.25 . . . . 1.0 110.505 -175.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 61.2 ttp180 -145.57 115.5 7.37 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.753 1.621 . . . . 1.0 111.037 176.182 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -64.21 120.06 61.33 Favored Pre-proline 0 CA--C 1.549 0.929 0 C-N-CA 124.98 1.312 . . . . 1.0 111.504 176.019 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -72.22 -21.23 23.71 Favored 'Trans proline' 0 CA--C 1.541 0.875 0 C-N-CA 122.55 2.166 . . . . 1.0 114.232 -175.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -80.53 -27.41 37.63 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 113.626 0.973 . . . . 1.0 113.626 -177.621 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 69.5 p -132.98 -17.32 2.43 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 115.126 1.528 . . . . 1.0 115.126 -171.339 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 81.44 3.53 90.62 Favored Glycine 0 CA--C 1.538 1.528 0 C-N-CA 124.352 0.977 . . . . 1.0 114.932 -177.132 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -58.84 149.51 26.55 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 125.058 1.343 . . . . 1.0 111.447 172.028 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 33.4 p -133.3 160.94 35.84 Favored 'General case' 0 N--CA 1.481 1.086 0 N-CA-C 113.627 0.973 . . . . 1.0 113.627 -175.241 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 19.7 t90 -146.43 161.31 40.68 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.645 1.178 . . . . 1.0 110.794 170.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.9 m -137.09 17.01 3.0 Favored 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 116.02 1.859 . . . . 1.0 116.02 -168.578 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 87.61 12.75 66.34 Favored Glycine 0 CA--C 1.538 1.531 0 N-CA-C 115.64 1.016 . . . . 1.0 115.64 175.344 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -137.97 148.43 45.21 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 125.484 1.514 . . . . 1.0 112.015 -174.597 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 71.33 -170.76 47.5 Favored Glycine 0 CA--C 1.537 1.441 0 C-N-CA 123.923 0.773 . . . . 1.0 114.128 -178.379 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 10.4 mpt_? -65.62 112.13 3.49 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.966 0.906 . . . . 1.0 110.401 175.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -59.98 128.52 87.16 Favored Pre-proline 0 CA--C 1.553 1.086 0 C-N-CA 124.737 1.215 . . . . 1.0 112.175 -179.045 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_exo -54.03 149.45 35.08 Favored 'Trans proline' 0 CA--C 1.542 0.925 0 C-N-CA 124.043 3.162 . . . . 1.0 114.764 172.518 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.65 -33.95 76.08 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 115.214 1.561 . . . . 1.0 115.214 -171.035 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 55.4 p-90 -60.81 -26.37 67.26 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 113.852 1.056 . . . . 1.0 113.852 -178.286 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.6 mp -67.95 -18.17 64.67 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 114.036 1.125 . . . . 1.0 114.036 178.246 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -77.12 45.0 2.21 Favored Glycine 0 CA--C 1.538 1.483 0 C-N-CA 125.392 1.472 . . . . 1.0 114.777 -179.242 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -137.52 -72.27 0.43 Allowed 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.749 1.219 . . . . 1.0 112.332 -175.685 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -158.05 83.04 2.8 Favored Pre-proline 0 CA--C 1.546 0.817 0 C-N-CA 124.74 1.216 . . . . 1.0 110.959 -177.083 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.546 ' HA ' ' CE1' ' A' ' 103' ' ' PHE . 58.9 Cg_exo -40.51 -41.19 3.5 Favored 'Trans proline' 0 C--N 1.353 0.789 0 C-N-CA 125.119 3.88 . . . . 1.0 117.481 -172.063 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.07 -20.38 65.9 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 114.853 1.427 . . . . 1.0 114.853 -178.125 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -70.66 -24.43 62.7 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 113.762 1.023 . . . . 1.0 113.762 177.214 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.546 ' CE1' ' HA ' ' A' ' 100' ' ' PRO . 6.3 p90 -133.71 -0.83 3.13 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 114.434 1.272 . . . . 1.0 114.434 -175.181 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 6.1 mt -59.17 134.61 57.15 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 120.488 -1.383 . . . . 1.0 108.974 168.454 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 91.7 mt -70.49 124.05 25.79 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 N-CA-C 108.46 -0.941 . . . . 1.0 108.46 172.628 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -137.4 153.0 74.26 Favored Pre-proline 0 CA--C 1.548 0.888 0 C-N-CA 125.633 1.573 . . . . 1.0 110.901 -169.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -79.15 -2.4 12.34 Favored 'Trans proline' 0 CA--C 1.544 0.985 0 C-N-CA 123.633 2.889 . . . . 1.0 114.776 -175.249 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 23.8 t70 48.74 31.34 3.02 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 126.254 1.822 . . . . 1.0 114.486 -170.73 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 73.4 mt -140.77 156.8 68.74 Favored Pre-proline 0 CA--C 1.547 0.832 0 C-N-CA 126.928 2.091 . . . . 1.0 111.231 -177.74 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -68.21 155.92 67.63 Favored 'Trans proline' 0 CA--C 1.54 0.776 0 C-N-CA 123.123 2.549 . . . . 1.0 112.677 175.006 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -148.2 168.11 23.32 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.366 1.466 . . . . 1.0 112.358 -177.446 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 35.8 mt -87.23 61.58 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 125.516 1.526 . . . . 1.0 108.925 -178.688 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 97.9 mt -127.82 4.69 6.02 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 126.929 2.091 . . . . 1.0 113.015 -174.747 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 . . . . . 0 C--O 1.253 1.275 0 C-N-CA 126.525 1.93 . . . . 1.0 112.24 179.929 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 60.2 ttm . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 110.699 -0.112 . . . . 1.0 110.699 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 80.0 p -150.41 168.86 22.89 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 125.054 1.342 . . . . 1.0 112.324 -179.587 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 14.8 t -143.89 165.69 27.02 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 124.981 1.312 . . . . 1.0 111.866 177.153 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 17.9 m -140.53 153.05 67.87 Favored Pre-proline 0 N--CA 1.48 1.068 0 C-N-CA 126.083 1.753 . . . . 1.0 111.626 -178.034 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -69.37 161.94 43.87 Favored 'Trans proline' 0 CA--C 1.539 0.76 0 C-N-CA 122.848 2.365 . . . . 1.0 112.168 173.019 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -128.65 -23.8 3.1 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 125.76 1.624 . . . . 1.0 113.037 178.087 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -138.97 145.98 40.39 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.615 1.166 . . . . 1.0 109.967 -174.491 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 55.8 ttt180 -145.65 119.78 9.48 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 124.735 1.214 . . . . 1.0 111.038 176.755 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -64.54 117.16 35.0 Favored Pre-proline 0 CA--C 1.547 0.856 0 C-N-CA 124.829 1.252 . . . . 1.0 111.504 175.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -70.46 -20.0 32.09 Favored 'Trans proline' 0 CA--C 1.543 0.956 0 C-N-CA 122.639 2.226 . . . . 1.0 113.715 -179.511 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -75.34 -31.27 60.52 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 113.504 0.927 . . . . 1.0 113.504 -177.451 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 58.5 p -131.03 -17.36 3.1 Favored 'General case' 0 N--CA 1.482 1.135 0 N-CA-C 114.702 1.371 . . . . 1.0 114.702 -175.621 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 89.04 -2.01 83.56 Favored Glycine 0 CA--C 1.536 1.398 0 C-N-CA 125.174 1.368 . . . . 1.0 114.98 -178.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 59.5 mtpt -63.34 148.77 47.45 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 125.318 1.447 . . . . 1.0 112.415 178.678 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 24.0 p -122.32 159.61 27.06 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 125.053 1.341 . . . . 1.0 113.503 -171.481 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 30.9 t90 -150.71 164.17 36.78 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.516 1.527 . . . . 1.0 110.707 174.67 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 93.3 p -135.55 21.61 3.37 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 115.976 1.843 . . . . 1.0 115.976 -168.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 81.63 16.33 73.52 Favored Glycine 0 N--CA 1.476 1.353 0 N-CA-C 115.569 0.988 . . . . 1.0 115.569 171.019 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 13.1 ptp180 -139.35 158.86 43.42 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 125.609 1.563 . . . . 1.0 112.945 -176.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 65.78 -167.8 33.34 Favored Glycine 0 CA--C 1.541 1.681 0 C-N-CA 123.32 0.486 . . . . 1.0 112.838 -170.004 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 59.4 ttp180 -59.74 134.92 57.48 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.85 0.86 . . . . 1.0 111.6 176.034 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -61.41 135.49 93.85 Favored Pre-proline 0 CA--C 1.549 0.907 0 C-N-CA 124.394 1.078 . . . . 1.0 111.439 179.024 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 70.3 Cg_endo -71.74 141.27 37.21 Favored 'Trans proline' 0 CA--C 1.538 0.694 0 C-N-CA 122.675 2.25 . . . . 1.0 111.707 175.269 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.76 -32.39 70.54 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 114.042 1.127 . . . . 1.0 114.042 -173.671 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 34.8 p-90 -66.2 -17.31 64.65 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 114.71 1.374 . . . . 1.0 114.71 177.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 6.2 tp -66.52 -19.81 65.87 Favored 'General case' 0 CA--C 1.549 0.918 0 CA-C-N 119.564 1.075 . . . . 1.0 113.719 178.433 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 50.9 -120.58 9.3 Favored Glycine 0 CA--C 1.536 1.348 0 C-N-CA 124.859 1.219 . . . . 1.0 113.803 175.517 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 -129.98 9.93 5.39 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 125.001 1.32 . . . . 1.0 113.795 -176.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -148.4 78.88 9.14 Favored Pre-proline 0 CA--C 1.549 0.915 0 C-N-CA 124.264 1.026 . . . . 1.0 112.127 -178.412 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_exo -47.89 -29.75 12.24 Favored 'Trans proline' 0 C--N 1.354 0.832 0 C-N-CA 125.036 3.824 . . . . 1.0 116.505 -177.764 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -57.14 -23.73 49.32 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 114.773 1.397 . . . . 1.0 114.773 -177.444 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -70.28 -20.92 63.0 Favored 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 114.517 1.302 . . . . 1.0 114.517 177.063 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -136.37 -5.91 2.03 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 125.394 1.478 . . . . 1.0 113.788 -174.729 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 4.4 mt -55.49 132.04 47.52 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 120.597 -1.315 . . . . 1.0 109.876 169.145 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 87.9 mt -69.38 119.91 16.09 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.689 0 N-CA-C 109.007 -0.738 . . . . 1.0 109.007 175.575 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -139.78 156.53 70.85 Favored Pre-proline 0 CA--C 1.549 0.933 0 C-N-CA 126.094 1.758 . . . . 1.0 110.437 -169.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -53.63 -13.97 4.55 Favored 'Trans proline' 0 C--N 1.355 0.913 0 C-N-CA 124.821 3.681 . . . . 1.0 117.975 -179.523 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -58.57 -16.93 17.85 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 125.583 1.553 . . . . 1.0 113.363 169.276 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 96.0 mt -131.99 157.35 78.46 Favored Pre-proline 0 CA--C 1.549 0.918 0 C-N-CA 128.883 2.873 . . . . 1.0 109.974 176.496 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -62.61 125.15 15.51 Favored 'Trans proline' 0 CA--C 1.541 0.849 0 C-N-CA 122.869 2.379 . . . . 1.0 111.068 175.702 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -146.85 171.22 15.53 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.008 1.323 . . . . 1.0 112.777 -173.396 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 7.7 tp -79.64 50.87 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 126.499 1.92 . . . . 1.0 112.521 177.768 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 35.8 tp -70.13 -19.91 63.19 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 126.51 1.924 . . . . 1.0 113.108 176.703 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 . . . . . 0 C--O 1.253 1.256 0 C-N-CA 126.498 1.919 . . . . 1.0 114.684 179.836 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 98.6 mmm . . . . . 0 N--CA 1.498 1.945 0 CA-C-O 120.415 0.15 . . . . 1.0 110.848 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.6 t -150.99 167.17 28.44 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.13 1.372 . . . . 1.0 111.87 177.29 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 14.4 t -147.28 165.87 28.81 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 125.543 1.537 . . . . 1.0 112.028 179.544 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 18.7 m -140.34 156.2 69.85 Favored Pre-proline 0 N--CA 1.479 0.999 0 C-N-CA 125.964 1.705 . . . . 1.0 111.858 -177.751 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -53.53 161.17 4.38 Favored 'Trans proline' 0 C--N 1.352 0.753 0 C-N-CA 123.723 2.949 . . . . 1.0 115.26 171.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -109.95 -24.06 11.01 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 126.629 1.971 . . . . 1.0 112.212 175.2 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.407 ' CE2' ' HG ' ' A' ' 104' ' ' LEU . 81.5 m-85 -138.11 150.94 47.32 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 125.314 1.446 . . . . 1.0 112.199 -177.554 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 60.8 ttp180 -143.41 116.36 8.84 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 126.287 1.835 . . . . 1.0 110.056 169.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -64.09 117.77 39.64 Favored Pre-proline 0 CA--C 1.548 0.899 0 C-N-CA 125.246 1.418 . . . . 1.0 111.061 174.672 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -70.92 -20.34 29.49 Favored 'Trans proline' 0 CA--C 1.542 0.88 0 C-N-CA 122.471 2.114 . . . . 1.0 113.674 -177.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -75.92 -32.01 59.39 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 113.652 0.982 . . . . 1.0 113.652 -177.651 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 51.7 p -133.21 -16.15 2.47 Favored 'General case' 0 N--CA 1.482 1.153 0 N-CA-C 115.063 1.505 . . . . 1.0 115.063 -173.122 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 86.5 1.66 85.59 Favored Glycine 0 CA--C 1.538 1.479 0 C-N-CA 124.508 1.051 . . . . 1.0 115.024 -178.431 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -59.17 149.33 28.49 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 125.242 1.417 . . . . 1.0 111.761 173.733 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 33.8 p -132.27 158.68 41.21 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.391 1.076 . . . . 1.0 113.16 -174.399 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 34.1 t90 -152.24 162.93 40.41 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.947 1.299 . . . . 1.0 111.194 177.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.6 m -133.38 15.8 4.09 Favored 'General case' 0 N--CA 1.48 1.048 0 N-CA-C 116.065 1.876 . . . . 1.0 116.065 -168.754 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 89.26 14.0 60.98 Favored Glycine 0 CA--C 1.538 1.504 0 N-CA-C 115.807 1.083 . . . . 1.0 115.807 172.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -135.03 151.9 51.22 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 125.233 1.413 . . . . 1.0 111.979 -177.608 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 70.01 -168.85 46.83 Favored Glycine 0 CA--C 1.54 1.64 0 C-N-CA 123.576 0.608 . . . . 1.0 113.143 -171.29 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 40.7 mmt180 -60.36 132.29 53.45 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.088 0.955 . . . . 1.0 111.596 177.008 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -66.91 134.58 94.02 Favored Pre-proline 0 CA--C 1.555 1.139 0 C-N-CA 123.917 0.887 . . . . 1.0 111.627 -179.505 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_exo -54.8 147.1 52.33 Favored 'Trans proline' 0 CA--C 1.541 0.849 0 C-N-CA 124.065 3.176 . . . . 1.0 114.944 175.197 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.83 -36.49 84.49 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 114.103 1.149 . . . . 1.0 114.103 -176.26 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 15.1 p-90 -64.76 -31.35 72.53 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.201 1.001 . . . . 1.0 113.188 176.252 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.1 tt -74.19 -31.73 62.77 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.812 1.245 . . . . 1.0 113.016 -170.789 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -70.36 47.29 0.69 Allowed Glycine 0 CA--C 1.539 1.574 0 C-N-CA 126.68 2.086 . . . . 1.0 117.53 -169.731 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 22.5 t30 -145.26 -49.92 0.24 Allowed 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.797 1.239 . . . . 1.0 112.9 174.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 16.4 p-10 -157.83 80.29 3.21 Favored Pre-proline 0 CA--C 1.553 1.075 0 C-N-CA 124.42 1.088 . . . . 1.0 112.606 -173.545 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -39.78 -38.61 1.86 Allowed 'Trans proline' 0 C--N 1.358 1.057 1 C-N-CA 126.307 4.671 . . . . 1.0 117.596 -175.07 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -58.56 -22.47 55.84 Favored 'General case' 0 CA--C 1.549 0.93 0 N-CA-C 114.715 1.376 . . . . 1.0 114.715 -179.271 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.6 -21.17 64.52 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 114.411 1.263 . . . . 1.0 114.411 176.57 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -138.47 -7.99 1.49 Allowed 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 114.426 1.269 . . . . 1.0 114.426 -172.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.407 ' HG ' ' CE2' ' A' ' 77' ' ' TYR . 7.0 mt -55.62 129.61 39.76 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 121.009 -1.057 . . . . 1.0 110.978 169.647 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 89.8 mt -75.23 131.67 34.6 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 N-CA-C 108.661 -0.866 . . . . 1.0 108.661 171.486 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 23.7 mm-40 -138.13 153.95 73.68 Favored Pre-proline 0 CA--C 1.552 1.039 0 C-N-CA 125.978 1.711 . . . . 1.0 110.18 -177.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -74.31 -21.71 17.23 Favored 'Trans proline' 0 CA--C 1.538 0.717 0 C-N-CA 122.759 2.306 . . . . 1.0 116.205 -169.462 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -166.8 -43.46 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 125.443 1.497 . . . . 1.0 113.297 175.593 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 22.6 tp -143.6 139.27 16.13 Favored Pre-proline 0 CA--C 1.549 0.942 0 C-N-CA 126.713 2.005 . . . . 1.0 109.73 178.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -52.58 138.51 58.0 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 123.14 2.56 . . . . 1.0 115.154 179.099 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -75.43 39.82 0.16 Allowed 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 125.92 1.688 . . . . 1.0 113.076 171.205 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 22.9 mt -138.88 66.26 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 127.653 2.381 . . . . 1.0 107.436 -172.001 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 20.3 tp -138.15 2.16 2.3 Favored 'General case' 0 CA--C 1.55 0.981 0 C-N-CA 124.992 1.317 . . . . 1.0 113.862 -169.459 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 . . . . . 0 C--O 1.252 1.223 0 C-N-CA 126.05 1.74 . . . . 1.0 112.214 -178.991 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 59.2 tpp . . . . . 0 N--CA 1.494 1.73 0 N-CA-C 110.344 -0.243 . . . . 1.0 110.344 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 50.5 m -142.59 158.85 43.24 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 125.069 1.347 . . . . 1.0 111.985 -174.289 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 45.6 p -138.77 163.94 30.89 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.351 1.461 . . . . 1.0 112.016 -178.385 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 16.1 m -140.49 154.81 69.79 Favored Pre-proline 0 N--CA 1.482 1.136 0 C-N-CA 125.776 1.63 . . . . 1.0 111.543 -178.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -68.89 163.97 35.38 Favored 'Trans proline' 0 CA--C 1.539 0.75 0 C-N-CA 122.85 2.367 . . . . 1.0 112.61 171.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 52.3 mtpt -119.86 -20.66 7.48 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 126.199 1.8 . . . . 1.0 112.92 174.067 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -141.01 143.05 34.2 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.055 0.942 . . . . 1.0 109.909 -174.122 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 53.0 ttt180 -145.77 119.09 8.95 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.427 1.091 . . . . 1.0 111.411 175.722 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -64.48 117.86 41.75 Favored Pre-proline 0 CA--C 1.546 0.814 0 C-N-CA 124.862 1.265 . . . . 1.0 111.486 174.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_endo -72.63 -19.87 23.93 Favored 'Trans proline' 0 CA--C 1.539 0.774 0 C-N-CA 122.505 2.137 . . . . 1.0 113.753 -178.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -75.08 -29.38 60.65 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.027 0.931 . . . . 1.0 113.481 -177.45 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 68.3 p -131.91 -20.53 2.5 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.979 1.312 . . . . 1.0 114.51 -175.157 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 91.78 -2.91 77.34 Favored Glycine 0 CA--C 1.537 1.461 0 C-N-CA 125.006 1.289 . . . . 1.0 115.03 -178.304 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 58.3 mtmt -61.35 148.77 40.32 Favored 'General case' 0 N--CA 1.482 1.135 0 CA-C-N 119.093 1.447 . . . . 1.0 112.495 178.504 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 23.5 p -126.7 158.14 37.23 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 125.184 1.394 . . . . 1.0 113.571 -170.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 28.7 t90 -150.59 164.38 36.17 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.307 1.443 . . . . 1.0 111.11 173.209 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 95.0 p -140.5 3.55 1.91 Allowed 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 116.604 2.075 . . . . 1.0 116.604 -169.26 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 106.73 -15.59 41.01 Favored Glycine 0 CA--C 1.537 1.456 0 CA-C-N 119.189 0.904 . . . . 1.0 114.679 -179.312 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 23.3 tpp180 -69.88 126.91 31.09 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 125.086 1.355 . . . . 1.0 111.358 177.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 70.78 -165.11 52.93 Favored Glycine 0 CA--C 1.539 1.58 0 C-N-CA 123.621 0.629 . . . . 1.0 113.888 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 83.2 mtm180 -66.87 155.37 38.56 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.869 0.868 . . . . 1.0 112.335 175.225 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 91.9 mt-30 -61.53 137.57 94.83 Favored Pre-proline 0 CA--C 1.551 1.011 0 C-N-CA 124.144 0.978 . . . . 1.0 111.864 177.13 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_exo -56.22 153.21 34.44 Favored 'Trans proline' 0 CA--C 1.536 0.585 0 C-N-CA 124.015 3.143 . . . . 1.0 114.032 171.606 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.71 -33.35 72.75 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 113.586 0.958 . . . . 1.0 113.586 177.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 47.8 p-90 -70.26 -25.1 63.2 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 113.878 1.066 . . . . 1.0 113.878 174.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 6.7 tp -72.97 -35.7 66.97 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 113.166 0.802 . . . . 1.0 113.166 -175.315 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 56.56 -154.62 16.37 Favored Glycine 0 CA--C 1.54 1.621 0 N-CA-C 115.072 0.789 . . . . 1.0 115.072 176.229 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -75.08 -17.0 60.54 Favored 'General case' 0 CA--C 1.55 0.971 0 N-CA-C 114.661 1.356 . . . . 1.0 114.661 -176.208 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -139.3 86.0 14.91 Favored Pre-proline 0 CA--C 1.55 0.964 0 C-N-CA 124.266 1.026 . . . . 1.0 112.919 -170.462 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -54.08 -17.09 10.51 Favored 'Trans proline' 0 CA--C 1.54 0.823 0 C-N-CA 125.0 3.8 . . . . 1.0 117.783 -179.278 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -55.95 -29.25 59.89 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 115.088 1.514 . . . . 1.0 115.088 -171.729 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.62 -19.41 63.63 Favored 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 114.714 1.375 . . . . 1.0 114.714 179.169 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -136.36 -2.89 2.2 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 125.369 1.468 . . . . 1.0 113.72 -173.518 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 3.0 mt -56.29 131.43 48.04 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.001 1.32 . . . . 1.0 111.296 169.736 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 80.2 mt -82.05 117.01 27.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 C-N-CA 124.213 1.005 . . . . 1.0 108.637 176.76 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -68.95 149.91 97.74 Favored Pre-proline 0 CA--C 1.55 0.954 0 C-N-CA 123.684 0.793 . . . . 1.0 111.993 178.482 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo -77.75 -12.93 16.37 Favored 'Trans proline' 0 CA--C 1.541 0.828 0 C-N-CA 123.105 2.537 . . . . 1.0 114.899 -177.423 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 23.8 t70 46.84 30.94 1.31 Allowed 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 126.836 2.054 . . . . 1.0 114.718 -173.539 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 15.6 tp -146.86 136.62 11.86 Favored Pre-proline 0 CA--C 1.549 0.937 0 C-N-CA 126.004 1.722 . . . . 1.0 110.185 -177.696 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -70.57 158.22 56.54 Favored 'Trans proline' 0 CA--C 1.537 0.655 0 C-N-CA 122.64 2.226 . . . . 1.0 112.537 177.335 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -104.32 30.47 5.27 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.137 1.375 . . . . 1.0 113.254 -178.573 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 18.7 pt -141.01 54.26 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 127.727 2.411 . . . . 1.0 110.097 -178.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 20.6 tp -130.62 1.24 4.46 Favored 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 125.828 1.651 . . . . 1.0 113.677 -169.6 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 . . . . . 0 C--O 1.253 1.261 0 C-N-CA 126.33 1.852 . . . . 1.0 112.327 -179.786 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 14.2 tpt . . . . . 0 N--CA 1.494 1.739 0 N-CA-C 110.7 -0.111 . . . . 1.0 110.7 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 27.1 m -62.35 156.0 23.6 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.897 1.279 . . . . 1.0 113.464 179.587 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 44.0 p -138.61 165.2 27.53 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 125.785 1.634 . . . . 1.0 111.899 179.637 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 17.0 m -140.18 154.36 69.99 Favored Pre-proline 0 N--CA 1.481 1.103 0 C-N-CA 125.455 1.502 . . . . 1.0 111.858 -178.78 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -65.9 164.14 28.28 Favored 'Trans proline' 0 C--N 1.351 0.672 0 C-N-CA 122.998 2.465 . . . . 1.0 113.699 174.342 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -102.88 -27.17 12.81 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 125.636 1.574 . . . . 1.0 113.112 177.389 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -142.29 149.14 39.13 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 119.36 0.982 . . . . 1.0 111.524 -175.077 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 52.2 ttt180 -144.93 115.21 7.54 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.899 0.88 . . . . 1.0 112.106 171.307 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -62.26 117.8 33.81 Favored Pre-proline 0 CA--C 1.548 0.879 0 C-N-CA 125.547 1.539 . . . . 1.0 112.163 179.448 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -71.22 -20.5 28.13 Favored 'Trans proline' 0 CA--C 1.541 0.826 0 C-N-CA 122.625 2.217 . . . . 1.0 113.887 -178.529 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -76.71 -31.9 57.49 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 113.636 0.976 . . . . 1.0 113.636 -177.277 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 49.6 p -133.09 -16.26 2.5 Favored 'General case' 0 N--CA 1.481 1.084 0 N-CA-C 115.054 1.501 . . . . 1.0 115.054 -174.096 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 90.69 -2.48 80.24 Favored Glycine 0 CA--C 1.536 1.39 0 C-N-CA 124.807 1.194 . . . . 1.0 115.226 179.483 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -58.72 149.25 26.76 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 125.898 1.679 . . . . 1.0 112.42 177.73 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 24.6 p -125.97 156.81 39.22 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 124.843 1.257 . . . . 1.0 113.04 -175.509 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 14.5 t90 -148.24 160.17 43.22 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.376 1.07 . . . . 1.0 111.553 171.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.1 m -138.72 16.01 2.7 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 116.101 1.889 . . . . 1.0 116.101 -168.431 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 83.07 19.8 62.15 Favored Glycine 0 CA--C 1.536 1.382 0 O-C-N 120.952 -1.092 . . . . 1.0 114.885 178.341 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -135.61 145.56 47.01 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 125.754 1.622 . . . . 1.0 111.592 -175.189 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 68.13 -170.95 36.7 Favored Glycine 0 CA--C 1.539 1.56 0 C-N-CA 123.843 0.735 . . . . 1.0 113.372 -173.638 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -59.54 134.06 56.67 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.943 0.897 . . . . 1.0 111.554 176.168 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -64.28 132.73 95.42 Favored Pre-proline 0 CA--C 1.549 0.923 0 C-N-CA 124.36 1.064 . . . . 1.0 111.023 178.229 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -75.11 153.8 41.53 Favored 'Trans proline' 0 CA--C 1.541 0.858 0 C-N-CA 122.572 2.181 . . . . 1.0 112.387 178.402 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.04 -34.62 76.58 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 114.51 1.3 . . . . 1.0 114.51 -172.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 64.2 p-90 -65.46 -21.45 66.64 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 113.732 1.012 . . . . 1.0 113.732 178.28 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.3 -21.75 63.84 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 114.26 1.207 . . . . 1.0 114.26 -178.413 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -63.99 -39.58 97.4 Favored Glycine 0 CA--C 1.53 0.973 0 N-CA-C 116.593 1.397 . . . . 1.0 116.593 -169.611 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -60.88 -51.31 69.84 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 113.467 0.914 . . . . 1.0 113.467 -170.116 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 50.6 t0 -164.94 90.2 0.99 Allowed Pre-proline 0 CA--C 1.548 0.867 0 C-N-CA 125.492 1.517 . . . . 1.0 109.342 177.253 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -57.66 -33.14 96.24 Favored 'Trans proline' 0 CA--C 1.538 0.679 0 C-N-CA 122.731 2.287 . . . . 1.0 114.544 -169.659 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -67.22 -20.02 65.63 Favored 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 114.471 1.286 . . . . 1.0 114.471 178.246 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -65.33 -27.49 68.64 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 114.049 1.129 . . . . 1.0 114.049 -176.206 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -132.72 17.51 4.28 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 126.058 1.743 . . . . 1.0 112.535 -175.263 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.8 tt -72.15 124.19 24.49 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.761 1.224 . . . . 1.0 109.554 170.027 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 64.2 mt -67.79 127.43 29.43 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.543 0 C-N-CA 125.371 1.468 . . . . 1.0 109.896 -178.287 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 -140.24 156.36 69.97 Favored Pre-proline 0 CA--C 1.547 0.865 0 C-N-CA 125.633 1.573 . . . . 1.0 111.106 -179.253 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -76.29 55.68 4.71 Favored 'Trans proline' 0 CA--C 1.551 1.354 0 C-N-CA 124.777 3.651 . . . . 1.0 113.146 -177.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -63.26 -19.76 64.85 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 125.464 1.506 . . . . 1.0 113.812 175.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -120.35 156.84 54.91 Favored Pre-proline 0 CA--C 1.551 0.992 0 C-N-CA 127.823 2.449 . . . . 1.0 109.871 171.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -47.32 132.78 19.53 Favored 'Trans proline' 0 C--N 1.354 0.835 0 C-N-CA 124.073 3.182 . . . . 1.0 114.738 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -150.4 173.82 13.59 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.545 1.538 . . . . 1.0 111.985 -174.601 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 8.1 tp -79.87 53.31 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 CA-C-O 124.019 1.866 . . . . 1.0 111.963 174.525 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -146.46 124.65 12.19 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 127.413 2.285 . . . . 1.0 109.684 -173.672 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 . . . . . 0 C--O 1.254 1.335 0 C-N-CA 125.928 1.691 . . . . 1.0 112.319 178.927 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.898 0 N-CA-C 111.404 0.15 . . . . 1.0 111.404 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 18.6 m -72.57 -23.54 60.98 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 114.375 1.25 . . . . 1.0 114.375 -175.199 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 13.8 t -146.35 166.52 26.09 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 125.502 1.521 . . . . 1.0 111.825 177.78 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 16.0 m -140.42 152.48 66.73 Favored Pre-proline 0 N--CA 1.479 0.993 0 C-N-CA 126.167 1.787 . . . . 1.0 111.616 -178.474 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -70.27 166.39 28.37 Favored 'Trans proline' 0 CA--C 1.54 0.805 0 C-N-CA 123.126 2.551 . . . . 1.0 113.113 175.38 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 58.2 tttp -125.38 -23.04 4.2 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 127.143 2.177 . . . . 1.0 112.226 175.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -139.41 148.46 42.83 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 125.389 1.476 . . . . 1.0 110.422 -176.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 60.3 ttp180 -144.85 116.17 8.01 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.858 1.663 . . . . 1.0 111.041 175.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -64.05 120.34 63.27 Favored Pre-proline 0 CA--C 1.549 0.928 0 C-N-CA 124.99 1.316 . . . . 1.0 111.518 176.38 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -71.81 -22.07 24.08 Favored 'Trans proline' 0 CA--C 1.542 0.896 0 C-N-CA 122.655 2.237 . . . . 1.0 114.246 -176.432 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -78.11 -28.29 48.54 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 113.827 1.047 . . . . 1.0 113.827 -177.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 68.8 p -132.56 -17.47 2.56 Favored 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 115.115 1.524 . . . . 1.0 115.115 -171.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 82.0 3.41 90.59 Favored Glycine 0 CA--C 1.54 1.594 0 C-N-CA 124.279 0.942 . . . . 1.0 114.759 -176.487 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -59.69 149.53 30.4 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-N 118.953 1.377 . . . . 1.0 111.391 173.014 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 33.2 p -132.55 158.83 41.16 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 124.219 1.008 . . . . 1.0 113.588 -174.488 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 23.2 t90 -147.94 165.55 30.35 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.151 1.38 . . . . 1.0 110.166 173.284 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 80.1 p -132.69 11.97 4.41 Favored 'General case' 0 N--CA 1.482 1.158 0 N-CA-C 117.242 2.312 . . . . 1.0 117.242 -168.444 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 89.78 8.56 67.28 Favored Glycine 0 CA--C 1.537 1.442 0 O-C-N 121.055 -1.028 . . . . 1.0 115.301 173.79 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 20.0 ptp180 -136.67 154.73 50.54 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 125.548 1.539 . . . . 1.0 112.921 -179.131 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 66.78 -172.42 28.77 Favored Glycine 0 CA--C 1.54 1.645 0 C-N-CA 123.507 0.575 . . . . 1.0 113.497 -169.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 78.0 ttt-85 -64.18 124.38 21.51 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.918 0.887 . . . . 1.0 111.165 175.794 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -61.13 149.35 82.49 Favored Pre-proline 0 CA--C 1.549 0.938 0 N-CA-C 113.119 0.785 . . . . 1.0 113.119 176.272 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -75.8 160.85 37.15 Favored 'Trans proline' 0 CA--C 1.539 0.752 0 C-N-CA 123.186 2.591 . . . . 1.0 112.071 173.551 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.2 -37.77 78.26 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 114.095 1.146 . . . . 1.0 114.095 -173.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 63.0 p-90 -64.27 -20.93 66.39 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 113.923 1.083 . . . . 1.0 113.923 178.174 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.15 -19.86 64.02 Favored 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 113.485 0.92 . . . . 1.0 113.485 176.523 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -82.23 46.2 3.48 Favored Glycine 0 CA--C 1.537 1.418 0 C-N-CA 125.541 1.543 . . . . 1.0 115.346 -169.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 45.4 t30 -144.81 -67.03 0.32 Allowed 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 118.315 1.058 . . . . 1.0 113.29 178.198 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -155.75 87.6 3.08 Favored Pre-proline 0 CA--C 1.545 0.762 0 C-N-CA 124.044 0.938 . . . . 1.0 111.591 -173.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.56 ' HA ' ' CE1' ' A' ' 103' ' ' PHE . 70.4 Cg_exo -41.92 -39.91 5.69 Favored 'Trans proline' 0 C--N 1.352 0.713 0 C-N-CA 125.1 3.867 . . . . 1.0 116.988 -175.6 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.35 -21.52 66.32 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 114.694 1.368 . . . . 1.0 114.694 -178.582 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.8 -23.08 63.28 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 113.895 1.072 . . . . 1.0 113.895 177.655 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.56 ' CE1' ' HA ' ' A' ' 100' ' ' PRO . 4.6 p90 -136.83 -0.73 2.29 Favored 'General case' 0 N--CA 1.474 0.775 0 N-CA-C 114.536 1.31 . . . . 1.0 114.536 -174.214 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 5.8 mt -57.78 137.45 56.55 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 120.563 -1.336 . . . . 1.0 110.293 169.052 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.3 mt -69.29 119.4 15.14 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 N-CA-C 107.307 -1.368 . . . . 1.0 107.307 169.718 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -142.4 154.48 63.81 Favored Pre-proline 0 CA--C 1.543 0.688 0 C-N-CA 124.812 1.245 . . . . 1.0 113.158 -169.058 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -77.75 44.9 1.64 Allowed 'Trans proline' 0 CA--C 1.549 1.238 0 C-N-CA 124.935 3.757 . . . . 1.0 113.72 -179.118 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -54.74 -24.56 22.89 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 124.847 1.259 . . . . 1.0 113.418 169.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -121.6 145.84 43.9 Favored Pre-proline 0 CA--C 1.548 0.876 0 C-N-CA 128.148 2.579 . . . . 1.0 108.234 169.304 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -68.29 151.55 76.38 Favored 'Trans proline' 0 CA--C 1.539 0.767 0 C-N-CA 122.792 2.328 . . . . 1.0 113.51 -173.191 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -137.67 36.03 2.43 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.57 1.548 . . . . 1.0 111.632 174.271 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 20.2 pt -136.54 55.91 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 C-N-CA 126.737 2.015 . . . . 1.0 111.143 -172.319 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -144.42 125.69 14.71 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 126.323 1.849 . . . . 1.0 109.684 -173.461 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 . . . . . 0 C--O 1.256 1.435 0 C-N-CA 126.201 1.8 . . . . 1.0 112.671 -177.303 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 14.0 tpt . . . . . 0 N--CA 1.495 1.822 0 N-CA-C 110.764 -0.087 . . . . 1.0 110.764 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 61.9 p -65.03 -29.85 70.78 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 115.093 1.516 . . . . 1.0 115.093 -175.697 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 43.9 p -140.25 165.88 26.19 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 125.821 1.648 . . . . 1.0 112.284 177.75 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 18.0 m -140.26 156.63 69.84 Favored Pre-proline 0 N--CA 1.48 1.031 0 C-N-CA 125.571 1.549 . . . . 1.0 111.04 176.636 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -51.1 153.45 9.11 Favored 'Trans proline' 0 CA--C 1.543 0.947 0 C-N-CA 123.617 2.878 . . . . 1.0 114.919 173.201 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -126.08 -32.58 2.74 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 126.222 1.809 . . . . 1.0 112.875 174.776 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -135.38 149.45 49.67 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.771 1.228 . . . . 1.0 110.953 -175.178 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 53.4 ttt180 -146.15 116.74 7.58 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.418 1.087 . . . . 1.0 111.892 173.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -64.03 119.97 59.96 Favored Pre-proline 0 CA--C 1.548 0.888 0 C-N-CA 125.5 1.52 . . . . 1.0 111.855 178.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -72.2 -22.29 22.49 Favored 'Trans proline' 0 CA--C 1.542 0.889 0 C-N-CA 122.696 2.264 . . . . 1.0 114.04 -178.108 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -75.53 -30.61 59.82 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 113.812 1.041 . . . . 1.0 113.812 -177.481 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 55.1 p -132.36 -16.29 2.75 Favored 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 114.812 1.412 . . . . 1.0 114.812 -173.491 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 88.09 -2.09 85.2 Favored Glycine 0 CA--C 1.537 1.441 0 C-N-CA 124.818 1.199 . . . . 1.0 115.022 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -59.8 148.79 33.24 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 125.597 1.559 . . . . 1.0 112.296 178.109 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 24.4 p -124.65 158.8 32.26 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 125.085 1.354 . . . . 1.0 113.125 -174.335 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 17.0 t90 -147.57 159.8 43.35 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.654 1.182 . . . . 1.0 111.495 170.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 78.0 p -136.79 8.81 3.05 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 117.003 2.224 . . . . 1.0 117.003 -168.736 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 98.34 7.6 55.8 Favored Glycine 0 CA--C 1.537 1.465 0 N-CA-C 115.968 1.147 . . . . 1.0 115.968 173.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -134.59 159.35 41.46 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 125.503 1.521 . . . . 1.0 112.352 -178.427 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 71.42 -171.99 45.8 Favored Glycine 0 CA--C 1.538 1.53 0 C-N-CA 123.613 0.625 . . . . 1.0 113.046 -171.093 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 94.5 mtt-85 -62.59 143.66 57.02 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.728 0.811 . . . . 1.0 111.555 175.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -63.52 132.45 95.17 Favored Pre-proline 0 CA--C 1.548 0.899 0 C-N-CA 123.843 0.857 . . . . 1.0 111.59 179.027 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_exo -60.44 149.67 85.09 Favored 'Trans proline' 0 C--N 1.351 0.671 0 C-N-CA 122.686 2.257 . . . . 1.0 112.402 169.474 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.71 -42.84 94.99 Favored 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 112.74 0.644 . . . . 1.0 112.74 177.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 65.5 p-90 -61.38 -24.45 66.5 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 113.61 0.967 . . . . 1.0 113.61 176.302 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.05 -19.0 65.78 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 113.735 1.013 . . . . 1.0 113.735 177.099 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -70.48 -33.53 67.84 Favored Glycine 0 CA--C 1.531 1.044 0 C-N-CA 124.457 1.027 . . . . 1.0 115.329 -175.037 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -61.48 -58.14 9.36 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.704 1.202 . . . . 1.0 113.454 -170.288 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 38.4 t0 -165.11 89.69 0.97 Allowed Pre-proline 0 CA--C 1.548 0.88 0 C-N-CA 124.957 1.303 . . . . 1.0 110.957 179.305 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.43 ' HA ' ' CE1' ' A' ' 103' ' ' PHE . 87.0 Cg_exo -43.09 -36.39 5.66 Favored 'Trans proline' 0 CA--C 1.54 0.798 0 C-N-CA 124.778 3.652 . . . . 1.0 117.156 -176.313 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.93 -25.18 66.23 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 114.658 1.355 . . . . 1.0 114.658 178.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.9 -24.23 63.36 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 114.353 1.242 . . . . 1.0 114.353 -174.447 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.43 ' CE1' ' HA ' ' A' ' 100' ' ' PRO . 2.2 p90 -133.04 12.77 4.29 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.091 1.356 . . . . 1.0 113.944 -172.172 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 7.1 mt -64.13 132.37 50.26 Favored 'General case' 0 N--CA 1.472 0.675 0 O-C-N 120.787 -1.195 . . . . 1.0 109.47 169.052 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 78.0 mt -68.08 113.62 4.11 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 C-N-CA 123.821 0.848 . . . . 1.0 108.939 176.079 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 89.0 mm-40 -71.45 151.7 94.0 Favored Pre-proline 0 CA--C 1.551 0.991 0 C-N-CA 123.813 0.845 . . . . 1.0 112.679 -171.775 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_endo -80.72 -1.79 11.47 Favored 'Trans proline' 0 CA--C 1.545 1.074 0 C-N-CA 123.712 2.942 . . . . 1.0 114.908 -178.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 24.5 t70 49.79 34.04 7.08 Favored 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 126.082 1.753 . . . . 1.0 113.818 -170.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 71.0 mt -140.53 155.89 69.58 Favored Pre-proline 0 CA--C 1.547 0.863 0 C-N-CA 127.047 2.139 . . . . 1.0 110.899 -178.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -68.72 157.5 61.59 Favored 'Trans proline' 0 CA--C 1.538 0.722 0 C-N-CA 123.058 2.505 . . . . 1.0 112.854 176.044 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -144.77 157.78 44.04 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.74 1.616 . . . . 1.0 111.391 177.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . 0.302 7.1 tp 31.09 57.16 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 C-N-CA 127.511 2.324 . . . . 1.0 114.368 -173.883 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 31.3 tp -75.09 -21.19 59.09 Favored 'General case' 0 CA--C 1.548 0.89 0 CA-C-N 113.723 -1.581 . . . . 1.0 113.367 -175.186 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 . . . . . 0 C--O 1.255 1.394 0 C-N-CA 126.356 1.862 . . . . 1.0 114.355 179.266 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.495 1.81 0 N-CA-C 110.35 -0.241 . . . . 1.0 110.35 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 17.2 m -62.46 -18.16 61.14 Favored 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 116.447 2.017 . . . . 1.0 116.447 -171.346 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 15.1 t -141.38 166.16 25.52 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.858 1.263 . . . . 1.0 112.599 175.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 23.1 m -67.4 154.51 92.86 Favored Pre-proline 0 CA--C 1.546 0.816 0 C-N-CA 125.524 1.529 . . . . 1.0 112.734 179.58 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_endo -68.36 163.8 35.05 Favored 'Trans proline' 0 CA--C 1.539 0.756 0 C-N-CA 122.623 2.215 . . . . 1.0 112.192 170.013 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 64.9 mttm -120.14 -27.92 5.2 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 126.213 1.805 . . . . 1.0 113.036 176.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -138.0 145.43 41.89 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 123.899 0.879 . . . . 1.0 110.791 -173.117 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 66.4 ttt-85 -143.75 115.23 8.08 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.748 1.219 . . . . 1.0 111.701 174.587 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -63.96 118.49 46.29 Favored Pre-proline 0 CA--C 1.549 0.941 0 C-N-CA 125.237 1.415 . . . . 1.0 111.58 177.215 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_endo -71.02 -21.35 27.77 Favored 'Trans proline' 0 CA--C 1.541 0.837 0 C-N-CA 122.572 2.181 . . . . 1.0 114.029 -179.116 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -75.46 -31.21 60.19 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 113.7 1.0 . . . . 1.0 113.7 -177.392 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 63.4 p -133.33 -16.25 2.43 Favored 'General case' 0 N--CA 1.481 1.099 0 N-CA-C 114.876 1.436 . . . . 1.0 114.876 -173.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 87.19 0.23 85.27 Favored Glycine 0 CA--C 1.537 1.435 0 C-N-CA 124.492 1.044 . . . . 1.0 115.177 -178.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -58.88 149.21 27.55 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 125.338 1.455 . . . . 1.0 112.188 175.345 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 31.2 p -130.94 158.61 39.77 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.503 1.121 . . . . 1.0 113.564 -174.765 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' TRP . . . . . 0.401 ' CH2' ' HA2' ' A' ' 88' ' ' GLY . 21.4 t90 -148.31 164.24 34.64 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.964 1.306 . . . . 1.0 110.795 173.209 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 85.0 p -136.62 12.22 3.19 Favored 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 116.65 2.093 . . . . 1.0 116.65 -168.646 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.401 ' HA2' ' CH2' ' A' ' 86' ' ' TRP . . . 81.83 24.4 55.68 Favored Glycine 0 N--CA 1.475 1.239 0 O-C-N 120.912 -1.117 . . . . 1.0 114.261 178.493 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -127.29 139.67 52.73 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 126.315 1.846 . . . . 1.0 110.434 -178.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 66.81 -165.52 41.34 Favored Glycine 0 CA--C 1.538 1.521 0 C-N-CA 123.138 0.399 . . . . 1.0 112.657 -169.771 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 28.6 mmt85 -69.91 148.26 49.22 Favored 'General case' 0 N--CA 1.48 1.055 0 O-C-N 121.733 -0.863 . . . . 1.0 111.227 170.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -60.89 152.05 71.24 Favored Pre-proline 0 CA--C 1.549 0.931 0 N-CA-C 112.953 0.723 . . . . 1.0 112.953 174.723 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -74.33 161.37 40.48 Favored 'Trans proline' 0 CA--C 1.542 0.905 0 C-N-CA 122.749 2.299 . . . . 1.0 111.827 170.352 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.54 -33.77 73.16 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 114.206 1.187 . . . . 1.0 114.206 -176.052 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 61.6 p-90 -69.51 -16.12 63.38 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 114.136 1.161 . . . . 1.0 114.136 177.482 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.6 tp -69.19 -19.3 63.98 Favored 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 114.4 1.259 . . . . 1.0 114.4 -176.089 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 52.48 -135.92 36.65 Favored Glycine 0 CA--C 1.537 1.453 0 C-N-CA 124.461 1.029 . . . . 1.0 113.999 177.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 31.5 p-10 -128.21 9.76 6.23 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 125.575 1.55 . . . . 1.0 114.072 179.616 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -147.67 78.9 9.71 Favored Pre-proline 0 CA--C 1.55 0.95 0 C-N-CA 125.269 1.428 . . . . 1.0 110.578 177.039 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_exo -62.88 -8.41 13.63 Favored 'Trans proline' 0 CA--C 1.539 0.761 0 C-N-CA 123.679 2.919 . . . . 1.0 118.376 -169.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -59.0 -23.29 61.76 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 114.867 1.432 . . . . 1.0 114.867 -173.15 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.16 -25.09 68.19 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 114.327 1.232 . . . . 1.0 114.327 175.552 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -136.98 5.3 2.81 Favored 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 114.561 1.319 . . . . 1.0 114.561 -174.849 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 5.5 mt -59.27 123.55 17.07 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 120.833 -1.167 . . . . 1.0 110.422 169.4 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 74.7 mt -67.44 127.82 29.68 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 C-N-CA 124.048 0.939 . . . . 1.0 109.185 177.009 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -147.14 148.82 33.31 Favored Pre-proline 0 CA--C 1.545 0.771 0 C-N-CA 125.389 1.476 . . . . 1.0 110.925 -174.021 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -72.12 140.47 34.4 Favored 'Trans proline' 0 CA--C 1.54 0.795 0 C-N-CA 122.418 2.078 . . . . 1.0 112.379 -174.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -65.94 -19.15 65.77 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.186 1.394 . . . . 1.0 114.641 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 86.6 mt -139.91 159.67 63.69 Favored Pre-proline 0 CA--C 1.548 0.882 0 C-N-CA 127.53 2.332 . . . . 1.0 111.257 -176.215 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -73.9 70.82 4.31 Favored 'Trans proline' 0 CA--C 1.54 0.783 0 C-N-CA 124.462 3.441 . . . . 1.0 112.657 176.416 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -52.55 115.48 1.8 Allowed 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.839 1.656 . . . . 1.0 111.299 179.042 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . 0.336 6.9 tp 34.85 49.47 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 127.433 2.293 . . . . 1.0 115.096 -169.631 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 68.7 mt -135.86 8.07 3.25 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 127.245 2.218 . . . . 1.0 112.691 176.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 . . . . . 0 C--O 1.253 1.285 0 C-N-CA 126.462 1.905 . . . . 1.0 112.156 178.639 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 26.8 ptt? . . . . . 0 N--CA 1.498 1.942 0 N-CA-C 111.94 0.348 . . . . 1.0 111.94 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.9 t -152.09 175.48 12.52 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 125.222 1.409 . . . . 1.0 111.535 178.179 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 15.1 t -142.68 166.08 25.63 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 125.649 1.58 . . . . 1.0 112.269 177.319 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 24.8 m -65.89 149.05 97.96 Favored Pre-proline 0 N--CA 1.477 0.88 0 C-N-CA 124.722 1.209 . . . . 1.0 112.306 178.394 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_endo -69.63 161.47 45.77 Favored 'Trans proline' 0 CA--C 1.535 0.555 0 C-N-CA 122.908 2.405 . . . . 1.0 112.748 176.518 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 30.8 mtpp -122.06 -21.4 5.97 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 125.707 1.603 . . . . 1.0 112.884 176.338 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 76.9 m-85 -139.22 147.67 42.06 Favored 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 124.67 1.188 . . . . 1.0 111.638 -177.48 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 51.4 ttt180 -144.37 118.26 9.35 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 125.087 1.355 . . . . 1.0 111.299 169.776 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -63.57 119.12 51.01 Favored Pre-proline 0 CA--C 1.548 0.903 0 C-N-CA 125.347 1.459 . . . . 1.0 111.303 176.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -70.48 -20.9 30.84 Favored 'Trans proline' 0 CA--C 1.542 0.878 0 C-N-CA 122.456 2.104 . . . . 1.0 113.972 -179.357 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -76.16 -32.58 59.15 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 113.751 1.019 . . . . 1.0 113.751 -177.024 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 52.3 p -131.95 -15.32 3.01 Favored 'General case' 0 N--CA 1.483 1.214 0 N-CA-C 114.879 1.437 . . . . 1.0 114.879 -174.072 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 87.06 -0.77 86.3 Favored Glycine 0 CA--C 1.536 1.403 0 C-N-CA 124.744 1.164 . . . . 1.0 115.177 -179.322 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -60.2 149.45 32.99 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 125.832 1.653 . . . . 1.0 112.118 176.515 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 25.1 p -125.72 159.44 32.3 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 124.706 1.202 . . . . 1.0 113.573 -173.258 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 31.5 t90 -150.32 163.5 38.16 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.842 1.257 . . . . 1.0 111.289 172.256 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.7 m -136.41 20.77 3.16 Favored 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 115.995 1.85 . . . . 1.0 115.995 -168.4 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 80.61 20.17 66.78 Favored Glycine 0 CA--C 1.538 1.497 0 O-C-N 121.19 -0.943 . . . . 1.0 115.258 173.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -133.52 145.42 50.13 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 125.439 1.496 . . . . 1.0 111.588 -176.54 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 65.89 -166.62 35.86 Favored Glycine 0 CA--C 1.54 1.618 0 C-N-CA 123.372 0.511 . . . . 1.0 112.591 -169.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 94.7 mtt-85 -66.92 135.19 53.45 Favored 'General case' 0 N--CA 1.478 0.926 0 O-C-N 121.671 -0.899 . . . . 1.0 111.02 172.045 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -61.43 148.8 85.27 Favored Pre-proline 0 CA--C 1.55 0.964 0 C-N-CA 123.129 0.572 . . . . 1.0 112.328 174.085 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -72.62 156.82 53.32 Favored 'Trans proline' 0 CA--C 1.539 0.774 0 C-N-CA 123.183 2.589 . . . . 1.0 112.445 175.148 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.15 -34.34 71.97 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 115.101 1.519 . . . . 1.0 115.101 -169.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 23.9 p-90 -64.08 -30.5 71.56 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 113.573 0.953 . . . . 1.0 113.573 178.015 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.7 tt -68.61 -29.91 68.53 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.551 1.141 . . . . 1.0 113.559 -171.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -74.56 47.92 1.83 Allowed Glycine 0 CA--C 1.536 1.403 0 C-N-CA 126.335 1.921 . . . . 1.0 116.384 -170.3 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 46.1 t30 -143.35 -54.16 0.38 Allowed 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.713 1.205 . . . . 1.0 112.699 176.301 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -158.65 89.54 2.17 Favored Pre-proline 0 CA--C 1.55 0.946 0 C-N-CA 124.46 1.104 . . . . 1.0 111.483 -177.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_exo -40.81 -39.84 3.31 Favored 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 125.262 3.975 . . . . 1.0 116.347 -178.571 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -61.39 -19.92 62.45 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 114.805 1.409 . . . . 1.0 114.805 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.43 -20.95 64.68 Favored 'General case' 0 CA--C 1.549 0.928 0 N-CA-C 113.917 1.08 . . . . 1.0 113.917 175.087 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -142.16 -6.32 0.95 Allowed 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 114.93 1.456 . . . . 1.0 114.93 -172.504 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 9.0 mt -56.13 130.02 42.47 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 119.802 1.183 . . . . 1.0 111.542 169.733 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 69.4 mt -77.82 134.47 28.3 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 C-N-CA 123.989 0.916 . . . . 1.0 108.548 170.544 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -140.58 152.44 66.22 Favored Pre-proline 0 CA--C 1.544 0.734 0 C-N-CA 125.255 1.422 . . . . 1.0 111.407 177.39 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -69.1 154.87 69.65 Favored 'Trans proline' 0 CA--C 1.538 0.701 0 C-N-CA 122.639 2.226 . . . . 1.0 112.742 -179.439 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -59.29 -23.64 62.59 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 125.577 1.551 . . . . 1.0 114.833 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 82.6 mt -137.35 149.62 66.19 Favored Pre-proline 0 CA--C 1.546 0.795 0 C-N-CA 127.458 2.303 . . . . 1.0 110.708 176.064 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -67.99 145.04 66.38 Favored 'Trans proline' 0 CA--C 1.54 0.813 0 C-N-CA 122.933 2.422 . . . . 1.0 112.84 -175.113 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -66.91 153.96 42.21 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 123.758 0.823 . . . . 1.0 112.523 174.206 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . 0.303 7.3 tp 32.49 55.66 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 127.599 2.36 . . . . 1.0 115.061 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 54.4 tp -68.4 -35.19 77.31 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 114.141 -1.39 . . . . 1.0 112.905 -178.666 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 . . . . . 0 C--O 1.255 1.378 0 C-N-CA 126.393 1.877 . . . . 1.0 113.486 -179.808 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 55.3 tttp . . . . . 0 N--CA 1.476 0.843 0 N-CA-C 112.983 0.735 . . . . 1.0 112.983 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 -137.68 150.71 47.57 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.735 1.214 . . . . 1.0 111.139 -177.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 56.6 ttt180 -145.11 116.21 7.89 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.531 1.132 . . . . 1.0 112.075 174.295 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -63.78 119.09 51.44 Favored Pre-proline 0 CA--C 1.549 0.913 0 C-N-CA 125.664 1.586 . . . . 1.0 111.867 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -72.04 -20.98 24.68 Favored 'Trans proline' 0 CA--C 1.541 0.837 0 C-N-CA 122.697 2.264 . . . . 1.0 114.003 -178.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -75.78 -30.92 59.27 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 113.704 1.001 . . . . 1.0 113.704 -177.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 57.4 p -131.86 -17.12 2.84 Favored 'General case' 0 N--CA 1.483 1.183 0 N-CA-C 114.839 1.422 . . . . 1.0 114.839 -174.043 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 89.23 -2.13 83.22 Favored Glycine 0 CA--C 1.537 1.443 0 C-N-CA 124.763 1.173 . . . . 1.0 115.125 -179.131 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -60.73 149.24 36.09 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.677 1.591 . . . . 1.0 112.626 178.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 23.6 p -123.72 157.7 33.34 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 124.974 1.31 . . . . 1.0 113.089 -174.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 25.4 t90 -149.54 163.63 37.29 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.751 1.221 . . . . 1.0 110.862 171.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.1 m . . . . . 0 N--CA 1.481 1.105 0 N-CA-C 116.373 1.99 . . . . 1.0 116.373 -168.291 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 1.2 p90 . . . . . 0 CA--C 1.55 0.975 0 N-CA-C 113.765 1.024 . . . . 1.0 113.765 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 9.7 mt . . . . . 0 N--CA 1.473 0.682 0 O-C-N 120.826 -1.171 . . . . 1.0 111.284 169.567 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 56.8 tttp . . . . . 0 N--CA 1.478 0.957 0 N-CA-C 112.605 0.594 . . . . 1.0 112.605 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -138.93 146.45 41.05 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 125.1 1.36 . . . . 1.0 110.4 -176.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 50.8 ttt180 -145.07 121.98 11.31 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 124.752 1.221 . . . . 1.0 111.746 172.018 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -64.05 117.9 40.72 Favored Pre-proline 0 CA--C 1.546 0.812 0 C-N-CA 125.477 1.511 . . . . 1.0 111.277 175.019 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_endo -72.63 -20.35 23.35 Favored 'Trans proline' 0 CA--C 1.543 0.927 0 C-N-CA 122.663 2.242 . . . . 1.0 113.839 -179.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -74.06 -37.93 64.11 Favored 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 113.403 0.89 . . . . 1.0 113.403 -176.29 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 55.5 p -134.64 -10.63 2.41 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 114.874 1.435 . . . . 1.0 114.874 -173.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 94.56 0.24 64.89 Favored Glycine 0 CA--C 1.536 1.348 0 CA-C-O 118.482 -1.176 . . . . 1.0 115.646 172.598 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 47.9 mttp -57.58 147.52 26.86 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 125.298 1.439 . . . . 1.0 112.251 178.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 21.8 p -126.93 156.12 42.01 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 124.659 1.184 . . . . 1.0 113.187 -175.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 26.1 t90 -152.12 165.71 33.92 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.142 1.377 . . . . 1.0 111.179 171.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.6 m . . . . . 0 N--CA 1.482 1.152 0 N-CA-C 116.968 2.21 . . . . 1.0 116.968 -168.351 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.92 0 N-CA-C 114.408 1.262 . . . . 1.0 114.408 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 4.8 mt . . . . . 0 N--CA 1.47 0.543 0 O-C-N 120.842 -1.161 . . . . 1.0 110.039 169.567 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 82.4 tttt . . . . . 0 N--CA 1.479 1.02 0 N-CA-C 112.831 0.678 . . . . 1.0 112.831 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -139.71 151.62 46.02 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 125.024 1.329 . . . . 1.0 111.044 -176.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 57.2 ttm-85 -142.25 120.31 12.12 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.602 1.561 . . . . 1.0 111.032 170.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -64.06 118.9 50.59 Favored Pre-proline 0 CA--C 1.547 0.857 0 C-N-CA 125.266 1.426 . . . . 1.0 111.299 174.355 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -71.05 -21.21 27.85 Favored 'Trans proline' 0 CA--C 1.54 0.791 0 C-N-CA 122.406 2.071 . . . . 1.0 113.98 -178.083 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -74.88 -29.56 61.04 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 113.637 0.977 . . . . 1.0 113.637 -177.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 62.5 p -131.39 -17.61 2.95 Favored 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 115.044 1.498 . . . . 1.0 115.044 -175.104 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 87.89 -3.95 85.8 Favored Glycine 0 CA--C 1.537 1.416 0 C-N-CA 125.208 1.385 . . . . 1.0 114.827 -177.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -61.0 150.24 34.17 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 126.133 1.773 . . . . 1.0 112.409 177.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 31.5 p -124.26 161.7 25.26 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 124.683 1.193 . . . . 1.0 113.866 -172.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 22.1 t90 -147.44 166.24 27.81 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.246 1.418 . . . . 1.0 110.661 170.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 83.8 p . . . . . 0 N--CA 1.478 0.937 0 N-CA-C 117.783 2.512 . . . . 1.0 117.783 -168.513 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 3.7 p90 . . . . . 0 CA--C 1.544 0.719 0 N-CA-C 114.602 1.334 . . . . 1.0 114.602 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 7.6 mt . . . . . 0 N--CA 1.475 0.812 0 O-C-N 120.442 -1.411 . . . . 1.0 109.647 168.753 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 61.0 mttp . . . . . 0 N--CA 1.475 0.789 0 N-CA-C 112.942 0.719 . . . . 1.0 112.942 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -138.79 150.73 46.4 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 119.08 0.855 . . . . 1.0 111.988 -171.009 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 60.3 ttp180 -143.56 112.19 6.47 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.659 1.584 . . . . 1.0 110.528 174.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -63.41 118.52 44.68 Favored Pre-proline 0 CA--C 1.547 0.85 0 C-N-CA 125.036 1.335 . . . . 1.0 111.62 177.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -72.01 -20.07 25.85 Favored 'Trans proline' 0 CA--C 1.542 0.902 0 C-N-CA 122.555 2.17 . . . . 1.0 113.958 -175.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -79.1 -26.02 42.97 Favored 'General case' 0 CA--C 1.549 0.91 0 N-CA-C 113.764 1.024 . . . . 1.0 113.764 -178.387 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 71.8 p -134.33 -20.87 1.84 Allowed 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 115.195 1.554 . . . . 1.0 115.195 -173.128 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 86.48 0.03 86.68 Favored Glycine 0 CA--C 1.541 1.669 0 C-N-CA 124.64 1.114 . . . . 1.0 114.819 -175.068 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 57.8 mtmt -59.24 149.24 29.08 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-N 119.093 1.446 . . . . 1.0 111.97 174.305 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 36.5 p -132.27 159.34 39.37 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 124.31 1.044 . . . . 1.0 113.282 -174.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 23.3 t90 -151.07 160.76 43.7 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.149 0.979 . . . . 1.0 111.807 175.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 91.9 p . . . . . 0 N--CA 1.48 1.055 0 N-CA-C 115.912 1.819 . . . . 1.0 115.912 -169.416 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 1.8 p90 . . . . . 0 CA--C 1.548 0.875 0 N-CA-C 112.316 0.488 . . . . 1.0 112.316 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.9 tt . . . . . 0 CA--C 1.54 0.574 0 C-N-CA 124.548 1.139 . . . . 1.0 108.544 169.549 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 84.4 tttt . . . . . 0 N--CA 1.475 0.822 0 N-CA-C 112.24 0.459 . . . . 1.0 112.24 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -145.11 145.59 31.47 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.908 1.283 . . . . 1.0 110.268 -178.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 52.2 ttt180 -146.69 119.74 8.81 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.475 1.11 . . . . 1.0 111.797 173.187 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -64.51 118.43 47.45 Favored Pre-proline 0 CA--C 1.547 0.86 0 C-N-CA 124.963 1.305 . . . . 1.0 111.676 175.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_endo -72.86 -20.55 22.28 Favored 'Trans proline' 0 CA--C 1.539 0.773 0 C-N-CA 122.574 2.183 . . . . 1.0 113.973 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -74.57 -33.0 62.58 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 113.561 0.949 . . . . 1.0 113.561 -176.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 49.5 p -131.39 -14.89 3.27 Favored 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 114.762 1.393 . . . . 1.0 114.762 -175.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 91.69 -2.01 76.2 Favored Glycine 0 CA--C 1.537 1.419 0 C-N-CA 125.034 1.302 . . . . 1.0 115.328 177.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -59.59 147.21 37.99 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 125.625 1.57 . . . . 1.0 112.535 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 22.8 p -126.88 155.59 42.75 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 125.093 1.357 . . . . 1.0 113.167 -172.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 26.9 t90 -152.4 165.02 36.32 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.061 1.344 . . . . 1.0 110.907 172.517 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 91.4 p . . . . . 0 N--CA 1.48 1.044 0 N-CA-C 116.965 2.209 . . . . 1.0 116.965 -169.458 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.546 0.814 0 N-CA-C 114.487 1.291 . . . . 1.0 114.487 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 3.3 mt . . . . . 0 CA--C 1.543 0.704 0 C-N-CA 125.518 1.527 . . . . 1.0 113.498 170.064 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 23.8 ttmm . . . . . 0 N--CA 1.479 0.998 0 N-CA-C 112.38 0.511 . . . . 1.0 112.38 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -140.41 147.23 39.41 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.74 1.216 . . . . 1.0 110.284 179.069 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 60.7 ttp180 -144.5 110.34 5.36 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.499 1.12 . . . . 1.0 111.164 177.438 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -59.99 115.92 15.02 Favored Pre-proline 0 CA--C 1.546 0.802 0 C-N-CA 125.54 1.536 . . . . 1.0 111.732 177.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -71.37 -19.24 29.12 Favored 'Trans proline' 0 CA--C 1.541 0.868 0 C-N-CA 122.409 2.073 . . . . 1.0 113.677 -177.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -77.37 -33.4 55.23 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 113.717 1.006 . . . . 1.0 113.717 -177.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 48.7 p -134.92 -14.2 2.11 Favored 'General case' 0 N--CA 1.482 1.15 0 N-CA-C 115.383 1.623 . . . . 1.0 115.383 -172.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 88.4 2.25 80.03 Favored Glycine 0 CA--C 1.539 1.538 0 C-N-CA 124.445 1.021 . . . . 1.0 115.242 179.184 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -59.61 149.52 30.05 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 125.417 1.487 . . . . 1.0 112.052 175.06 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 37.5 p -135.86 159.91 40.22 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 113.976 1.102 . . . . 1.0 113.976 -175.14 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 22.8 t90 -150.88 164.63 35.84 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.543 1.537 . . . . 1.0 110.15 171.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 88.1 p . . . . . 0 N--CA 1.481 1.121 0 N-CA-C 117.873 2.546 . . . . 1.0 117.873 -169.051 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.549 0.931 0 N-CA-C 112.68 0.622 . . . . 1.0 112.68 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 3.0 tt . . . . . 0 CA--C 1.543 0.693 0 C-N-CA 124.965 1.306 . . . . 1.0 109.982 172.71 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 82.8 tttt . . . . . 0 N--CA 1.479 0.999 0 N-CA-C 112.629 0.603 . . . . 1.0 112.629 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 -140.63 148.03 40.26 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 124.744 1.218 . . . . 1.0 110.429 -179.368 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 51.2 ttt180 -144.52 118.82 9.56 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 123.697 0.799 . . . . 1.0 111.822 172.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -61.27 117.72 29.49 Favored Pre-proline 0 CA--C 1.546 0.8 0 C-N-CA 125.922 1.689 . . . . 1.0 111.848 178.176 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -72.3 -19.83 25.11 Favored 'Trans proline' 0 CA--C 1.542 0.875 0 C-N-CA 122.533 2.155 . . . . 1.0 113.877 -177.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -74.8 -38.36 62.11 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 113.593 0.96 . . . . 1.0 113.593 -177.226 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 56.2 p -136.44 -10.59 1.9 Allowed 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 115.216 1.561 . . . . 1.0 115.216 -173.32 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 94.4 1.66 64.22 Favored Glycine 0 CA--C 1.535 1.302 0 CA-C-O 118.64 -1.089 . . . . 1.0 115.788 172.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 48.9 mttp -57.95 149.24 23.45 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 125.561 1.545 . . . . 1.0 112.166 177.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 24.8 p -126.12 155.53 41.49 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 124.623 1.169 . . . . 1.0 113.632 -176.104 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 20.5 t90 -147.66 165.19 31.18 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.26 1.424 . . . . 1.0 110.498 170.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 90.9 p . . . . . 0 N--CA 1.485 1.279 0 N-CA-C 117.215 2.302 . . . . 1.0 117.215 -168.827 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 1.3 p90 . . . . . 0 CA--C 1.55 0.948 0 N-CA-C 112.778 0.658 . . . . 1.0 112.778 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 3.6 tt . . . . . 0 N--CA 1.471 0.619 0 C-N-CA 124.35 1.06 . . . . 1.0 108.566 169.615 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 83.8 tttt . . . . . 0 N--CA 1.476 0.829 0 N-CA-C 112.663 0.616 . . . . 1.0 112.663 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -135.1 148.22 49.75 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 125.149 1.38 . . . . 1.0 110.349 -177.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 51.3 ttt180 -145.61 117.02 7.98 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.14 0.976 . . . . 1.0 111.859 175.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -62.2 118.46 40.05 Favored Pre-proline 0 CA--C 1.549 0.906 0 C-N-CA 125.309 1.444 . . . . 1.0 111.926 178.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -71.18 -20.67 28.06 Favored 'Trans proline' 0 CA--C 1.539 0.774 0 C-N-CA 122.62 2.213 . . . . 1.0 113.976 -177.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -77.26 -31.36 54.89 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 113.736 1.013 . . . . 1.0 113.736 -177.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 51.6 p -132.63 -17.01 2.58 Favored 'General case' 0 N--CA 1.481 1.122 0 N-CA-C 115.205 1.557 . . . . 1.0 115.205 -173.002 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 88.65 -0.79 83.18 Favored Glycine 0 CA--C 1.538 1.477 0 C-N-CA 124.77 1.176 . . . . 1.0 115.124 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -59.31 149.35 29.13 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 125.746 1.619 . . . . 1.0 112.306 176.45 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 24.5 p -126.57 157.68 38.2 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 124.723 1.209 . . . . 1.0 113.518 -174.15 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 26.0 t90 -145.97 161.63 39.64 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.191 1.396 . . . . 1.0 110.309 170.004 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.6 m . . . . . 0 N--CA 1.481 1.105 0 N-CA-C 116.53 2.048 . . . . 1.0 116.53 -168.279 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.548 0.874 0 N-CA-C 113.266 0.839 . . . . 1.0 113.266 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 10.4 mt . . . . . 0 N--CA 1.474 0.732 0 O-C-N 120.772 -1.205 . . . . 1.0 110.563 169.467 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 56.6 tttp . . . . . 0 N--CA 1.478 0.935 0 N-CA-C 112.79 0.663 . . . . 1.0 112.79 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -139.37 144.64 38.27 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 125.122 1.369 . . . . 1.0 109.819 -177.22 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 52.7 ttt180 -145.21 121.76 11.07 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 124.542 1.137 . . . . 1.0 111.507 175.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -64.7 117.67 40.54 Favored Pre-proline 0 CA--C 1.546 0.809 0 C-N-CA 125.026 1.331 . . . . 1.0 111.683 175.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -71.59 -20.98 26.25 Favored 'Trans proline' 0 CA--C 1.544 0.977 0 C-N-CA 122.465 2.11 . . . . 1.0 113.726 -179.263 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -75.23 -34.13 61.4 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 113.799 1.037 . . . . 1.0 113.799 -176.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 46.1 p -132.63 -14.85 2.8 Favored 'General case' 0 N--CA 1.482 1.147 0 N-CA-C 114.733 1.383 . . . . 1.0 114.733 -174.122 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 92.08 -0.98 73.17 Favored Glycine 0 CA--C 1.537 1.468 0 C-N-CA 124.768 1.175 . . . . 1.0 115.537 177.159 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -58.87 148.8 28.8 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 125.634 1.574 . . . . 1.0 112.509 178.587 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 14.3 p -128.04 153.49 46.72 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 124.789 1.236 . . . . 1.0 113.412 -172.2 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 28.0 t90 -149.41 166.52 28.82 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.655 1.582 . . . . 1.0 110.596 173.319 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 87.5 p . . . . . 0 N--CA 1.481 1.104 0 N-CA-C 117.205 2.298 . . . . 1.0 117.205 -168.585 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.07 0 N-CA-C 113.355 0.872 . . . . 1.0 113.355 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 3.1 mt . . . . . 0 CA--C 1.539 0.557 0 C-N-CA 125.042 1.337 . . . . 1.0 110.163 169.436 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 58.1 mtpt . . . . . 0 N--CA 1.475 0.802 0 N-CA-C 112.683 0.623 . . . . 1.0 112.683 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -142.55 144.98 33.15 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.601 0.76 . . . . 1.0 111.23 -172.203 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 70.6 ttp85 -143.34 113.02 6.99 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 126.394 1.878 . . . . 1.0 110.251 174.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -64.49 108.79 2.15 Favored Pre-proline 0 CA--C 1.546 0.822 0 C-N-CA 125.799 1.639 . . . . 1.0 112.494 179.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -57.6 -26.99 75.07 Favored 'Trans proline' 0 CA--C 1.539 0.742 0 C-N-CA 122.739 2.293 . . . . 1.0 114.434 179.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -76.17 -19.11 58.74 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 114.431 1.271 . . . . 1.0 114.431 -176.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 68.9 p -141.16 -23.24 0.75 Allowed 'General case' 0 N--CA 1.483 1.22 0 N-CA-C 115.559 1.689 . . . . 1.0 115.559 -174.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 86.2 0.86 86.74 Favored Glycine 0 CA--C 1.538 1.512 0 C-N-CA 124.23 0.919 . . . . 1.0 114.648 -171.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -59.09 149.03 28.98 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 119.057 1.428 . . . . 1.0 111.466 172.197 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 27.0 p -133.78 157.99 44.49 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 124.261 1.024 . . . . 1.0 113.217 -174.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 23.5 t90 -152.63 162.94 40.56 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.595 1.158 . . . . 1.0 111.561 176.18 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 91.9 p . . . . . 0 N--CA 1.477 0.913 0 N-CA-C 115.948 1.833 . . . . 1.0 115.948 -169.582 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.475 0.778 0 N-CA-C 113.7 1.0 . . . . 1.0 113.7 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 4.2 mt . . . . . 0 CA--C 1.543 0.698 0 C-N-CA 125.594 1.558 . . . . 1.0 113.184 174.881 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 81.4 tttt . . . . . 0 N--CA 1.48 1.047 0 N-CA-C 112.851 0.685 . . . . 1.0 112.851 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.407 ' CD2' HD12 ' A' ' 104' ' ' LEU . 25.2 m-85 -142.47 146.84 35.18 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 124.695 1.198 . . . . 1.0 110.715 -174.425 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 53.0 ttt180 -144.87 114.4 7.17 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.639 0.776 . . . . 1.0 112.618 171.426 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -56.66 118.13 21.06 Favored Pre-proline 0 CA--C 1.552 1.023 0 C-N-CA 126.106 1.762 . . . . 1.0 112.009 178.114 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -72.32 -21.08 23.57 Favored 'Trans proline' 0 CA--C 1.541 0.83 0 C-N-CA 122.638 2.225 . . . . 1.0 113.853 -178.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.56 -38.39 65.22 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 113.541 0.941 . . . . 1.0 113.541 -176.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 51.7 p -135.38 -10.75 2.18 Favored 'General case' 0 N--CA 1.482 1.152 0 N-CA-C 114.924 1.453 . . . . 1.0 114.924 -173.503 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 93.91 1.96 65.01 Favored Glycine 0 CA--C 1.537 1.413 0 CA-C-O 118.619 -1.101 . . . . 1.0 115.52 173.225 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 47.6 mttp -59.19 149.03 29.44 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 125.424 1.49 . . . . 1.0 112.23 178.521 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 24.5 p -125.15 155.93 39.16 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 124.755 1.222 . . . . 1.0 113.43 -176.477 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 22.2 t90 -150.03 164.16 36.24 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.735 1.214 . . . . 1.0 111.032 171.142 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 89.8 p . . . . . 0 N--CA 1.482 1.143 0 N-CA-C 117.249 2.314 . . . . 1.0 117.249 -168.666 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.549 0.905 0 CA-C-O 121.348 0.594 . . . . 1.0 111.837 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.407 HD12 ' CD2' ' A' ' 77' ' ' TYR . 8.4 tp . . . . . 0 CA--C 1.538 0.496 0 C-N-CA 124.727 1.211 . . . . 1.0 110.737 -175.03 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 30.9 mtpp . . . . . 0 N--CA 1.478 0.959 0 N-CA-C 113.144 0.794 . . . . 1.0 113.144 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 31.6 m-85 -140.19 147.61 40.35 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.826 1.25 . . . . 1.0 110.505 -175.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 61.2 ttp180 -145.57 115.5 7.37 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.753 1.621 . . . . 1.0 111.037 176.182 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -64.21 120.06 61.33 Favored Pre-proline 0 CA--C 1.549 0.929 0 C-N-CA 124.98 1.312 . . . . 1.0 111.504 176.019 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -72.22 -21.23 23.71 Favored 'Trans proline' 0 CA--C 1.541 0.875 0 C-N-CA 122.55 2.166 . . . . 1.0 114.232 -175.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -80.53 -27.41 37.63 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 113.626 0.973 . . . . 1.0 113.626 -177.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 69.5 p -132.98 -17.32 2.43 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 115.126 1.528 . . . . 1.0 115.126 -171.339 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 81.44 3.53 90.62 Favored Glycine 0 CA--C 1.538 1.528 0 C-N-CA 124.352 0.977 . . . . 1.0 114.932 -177.132 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -58.84 149.51 26.55 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 125.058 1.343 . . . . 1.0 111.447 172.028 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 33.4 p -133.3 160.94 35.84 Favored 'General case' 0 N--CA 1.481 1.086 0 N-CA-C 113.627 0.973 . . . . 1.0 113.627 -175.241 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 19.7 t90 -146.43 161.31 40.68 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.645 1.178 . . . . 1.0 110.794 170.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.9 m . . . . . 0 N--CA 1.482 1.138 0 N-CA-C 116.02 1.859 . . . . 1.0 116.02 -168.578 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 6.3 p90 . . . . . 0 CA--C 1.545 0.765 0 N-CA-C 114.434 1.272 . . . . 1.0 114.434 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 6.1 mt . . . . . 0 N--CA 1.472 0.674 0 O-C-N 120.488 -1.383 . . . . 1.0 108.974 168.454 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp . . . . . 0 N--CA 1.48 1.064 0 N-CA-C 113.037 0.754 . . . . 1.0 113.037 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -138.97 145.98 40.39 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.615 1.166 . . . . 1.0 109.967 -174.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 55.8 ttt180 -145.65 119.78 9.48 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 124.735 1.214 . . . . 1.0 111.038 176.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -64.54 117.16 35.0 Favored Pre-proline 0 CA--C 1.547 0.856 0 C-N-CA 124.829 1.252 . . . . 1.0 111.504 175.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -70.46 -20.0 32.09 Favored 'Trans proline' 0 CA--C 1.543 0.956 0 C-N-CA 122.639 2.226 . . . . 1.0 113.715 -179.511 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -75.34 -31.27 60.52 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 113.504 0.927 . . . . 1.0 113.504 -177.451 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 58.5 p -131.03 -17.36 3.1 Favored 'General case' 0 N--CA 1.482 1.135 0 N-CA-C 114.702 1.371 . . . . 1.0 114.702 -175.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 89.04 -2.01 83.56 Favored Glycine 0 CA--C 1.536 1.398 0 C-N-CA 125.174 1.368 . . . . 1.0 114.98 -178.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 59.5 mtpt -63.34 148.77 47.45 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 125.318 1.447 . . . . 1.0 112.415 178.678 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 24.0 p -122.32 159.61 27.06 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 125.053 1.341 . . . . 1.0 113.503 -171.481 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 30.9 t90 -150.71 164.17 36.78 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.516 1.527 . . . . 1.0 110.707 174.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 93.3 p . . . . . 0 N--CA 1.48 1.07 0 N-CA-C 115.976 1.843 . . . . 1.0 115.976 -168.864 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.002 0 N-CA-C 113.788 1.032 . . . . 1.0 113.788 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 4.4 mt . . . . . 0 CA--C 1.539 0.53 0 O-C-N 120.597 -1.315 . . . . 1.0 109.876 169.145 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 84.8 tttt . . . . . 0 N--CA 1.478 0.965 0 N-CA-C 112.212 0.449 . . . . 1.0 112.212 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.407 ' CE2' ' HG ' ' A' ' 104' ' ' LEU . 81.5 m-85 -138.11 150.94 47.32 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 125.314 1.446 . . . . 1.0 112.199 -177.554 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 60.8 ttp180 -143.41 116.36 8.84 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 126.287 1.835 . . . . 1.0 110.056 169.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -64.09 117.77 39.64 Favored Pre-proline 0 CA--C 1.548 0.899 0 C-N-CA 125.246 1.418 . . . . 1.0 111.061 174.672 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -70.92 -20.34 29.49 Favored 'Trans proline' 0 CA--C 1.542 0.88 0 C-N-CA 122.471 2.114 . . . . 1.0 113.674 -177.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -75.92 -32.01 59.39 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 113.652 0.982 . . . . 1.0 113.652 -177.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 51.7 p -133.21 -16.15 2.47 Favored 'General case' 0 N--CA 1.482 1.153 0 N-CA-C 115.063 1.505 . . . . 1.0 115.063 -173.122 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 86.5 1.66 85.59 Favored Glycine 0 CA--C 1.538 1.479 0 C-N-CA 124.508 1.051 . . . . 1.0 115.024 -178.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -59.17 149.33 28.49 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 125.242 1.417 . . . . 1.0 111.761 173.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 33.8 p -132.27 158.68 41.21 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.391 1.076 . . . . 1.0 113.16 -174.399 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 34.1 t90 -152.24 162.93 40.41 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.947 1.299 . . . . 1.0 111.194 177.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.6 m . . . . . 0 N--CA 1.48 1.048 0 N-CA-C 116.065 1.876 . . . . 1.0 116.065 -168.754 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.476 0.85 0 N-CA-C 114.426 1.269 . . . . 1.0 114.426 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.407 ' HG ' ' CE2' ' A' ' 77' ' ' TYR . 7.0 mt . . . . . 0 CA--C 1.539 0.527 0 O-C-N 121.009 -1.057 . . . . 1.0 110.978 169.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 52.3 mtpt . . . . . 0 N--CA 1.477 0.92 0 N-CA-C 112.92 0.711 . . . . 1.0 112.92 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -141.01 143.05 34.2 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.055 0.942 . . . . 1.0 109.909 -174.122 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 53.0 ttt180 -145.77 119.09 8.95 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.427 1.091 . . . . 1.0 111.411 175.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -64.48 117.86 41.75 Favored Pre-proline 0 CA--C 1.546 0.814 0 C-N-CA 124.862 1.265 . . . . 1.0 111.486 174.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_endo -72.63 -19.87 23.93 Favored 'Trans proline' 0 CA--C 1.539 0.774 0 C-N-CA 122.505 2.137 . . . . 1.0 113.753 -178.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -75.08 -29.38 60.65 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.027 0.931 . . . . 1.0 113.481 -177.45 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 68.3 p -131.91 -20.53 2.5 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.979 1.312 . . . . 1.0 114.51 -175.157 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 91.78 -2.91 77.34 Favored Glycine 0 CA--C 1.537 1.461 0 C-N-CA 125.006 1.289 . . . . 1.0 115.03 -178.304 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 58.3 mtmt -61.35 148.77 40.32 Favored 'General case' 0 N--CA 1.482 1.135 0 CA-C-N 119.093 1.447 . . . . 1.0 112.495 178.504 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 23.5 p -126.7 158.14 37.23 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 125.184 1.394 . . . . 1.0 113.571 -170.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 28.7 t90 -150.59 164.38 36.17 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.307 1.443 . . . . 1.0 111.11 173.209 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 95.0 p . . . . . 0 N--CA 1.48 1.056 0 N-CA-C 116.604 2.075 . . . . 1.0 116.604 -169.26 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.94 0 N-CA-C 113.72 1.008 . . . . 1.0 113.72 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 3.0 mt . . . . . 0 CA--C 1.543 0.677 0 C-N-CA 125.001 1.32 . . . . 1.0 111.296 169.736 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 65.7 mttm . . . . . 0 N--CA 1.476 0.839 0 N-CA-C 113.112 0.782 . . . . 1.0 113.112 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -142.29 149.14 39.13 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 119.36 0.982 . . . . 1.0 111.524 -175.077 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 52.2 ttt180 -144.93 115.21 7.54 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.899 0.88 . . . . 1.0 112.106 171.307 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -62.26 117.8 33.81 Favored Pre-proline 0 CA--C 1.548 0.879 0 C-N-CA 125.547 1.539 . . . . 1.0 112.163 179.448 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -71.22 -20.5 28.13 Favored 'Trans proline' 0 CA--C 1.541 0.826 0 C-N-CA 122.625 2.217 . . . . 1.0 113.887 -178.529 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -76.71 -31.9 57.49 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 113.636 0.976 . . . . 1.0 113.636 -177.277 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 49.6 p -133.09 -16.26 2.5 Favored 'General case' 0 N--CA 1.481 1.084 0 N-CA-C 115.054 1.501 . . . . 1.0 115.054 -174.096 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 90.69 -2.48 80.24 Favored Glycine 0 CA--C 1.536 1.39 0 C-N-CA 124.807 1.194 . . . . 1.0 115.226 179.483 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -58.72 149.25 26.76 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 125.898 1.679 . . . . 1.0 112.42 177.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 24.6 p -125.97 156.81 39.22 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 124.843 1.257 . . . . 1.0 113.04 -175.509 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 14.5 t90 -148.24 160.17 43.22 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.376 1.07 . . . . 1.0 111.553 171.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.1 m . . . . . 0 N--CA 1.48 1.066 0 N-CA-C 116.101 1.889 . . . . 1.0 116.101 -168.431 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.549 0.924 0 N-CA-C 112.535 0.568 . . . . 1.0 112.535 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.8 tt . . . . . 0 CA--C 1.542 0.662 0 C-N-CA 124.761 1.224 . . . . 1.0 109.554 170.027 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 58.2 tttp . . . . . 0 N--CA 1.477 0.922 0 N-CA-C 112.226 0.454 . . . . 1.0 112.226 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -139.41 148.46 42.83 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 125.389 1.476 . . . . 1.0 110.422 -176.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 60.3 ttp180 -144.85 116.17 8.01 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.858 1.663 . . . . 1.0 111.041 175.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -64.05 120.34 63.27 Favored Pre-proline 0 CA--C 1.549 0.928 0 C-N-CA 124.99 1.316 . . . . 1.0 111.518 176.38 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -71.81 -22.07 24.08 Favored 'Trans proline' 0 CA--C 1.542 0.896 0 C-N-CA 122.655 2.237 . . . . 1.0 114.246 -176.432 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -78.11 -28.29 48.54 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 113.827 1.047 . . . . 1.0 113.827 -177.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 68.8 p -132.56 -17.47 2.56 Favored 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 115.115 1.524 . . . . 1.0 115.115 -171.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 82.0 3.41 90.59 Favored Glycine 0 CA--C 1.54 1.594 0 C-N-CA 124.279 0.942 . . . . 1.0 114.759 -176.487 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -59.69 149.53 30.4 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-N 118.953 1.377 . . . . 1.0 111.391 173.014 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 33.2 p -132.55 158.83 41.16 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 124.219 1.008 . . . . 1.0 113.588 -174.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 23.2 t90 -147.94 165.55 30.35 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.151 1.38 . . . . 1.0 110.166 173.284 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 80.1 p . . . . . 0 N--CA 1.482 1.158 0 N-CA-C 117.242 2.312 . . . . 1.0 117.242 -168.444 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 4.6 p90 . . . . . 0 N--CA 1.474 0.775 0 N-CA-C 114.536 1.31 . . . . 1.0 114.536 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 5.8 mt . . . . . 0 N--CA 1.471 0.597 0 O-C-N 120.563 -1.336 . . . . 1.0 110.293 169.052 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 67.0 mttm . . . . . 0 N--CA 1.477 0.909 0 N-CA-C 112.875 0.694 . . . . 1.0 112.875 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -135.38 149.45 49.67 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.771 1.228 . . . . 1.0 110.953 -175.178 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 53.4 ttt180 -146.15 116.74 7.58 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.418 1.087 . . . . 1.0 111.892 173.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -64.03 119.97 59.96 Favored Pre-proline 0 CA--C 1.548 0.888 0 C-N-CA 125.5 1.52 . . . . 1.0 111.855 178.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -72.2 -22.29 22.49 Favored 'Trans proline' 0 CA--C 1.542 0.889 0 C-N-CA 122.696 2.264 . . . . 1.0 114.04 -178.108 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -75.53 -30.61 59.82 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 113.812 1.041 . . . . 1.0 113.812 -177.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 55.1 p -132.36 -16.29 2.75 Favored 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 114.812 1.412 . . . . 1.0 114.812 -173.491 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 88.09 -2.09 85.2 Favored Glycine 0 CA--C 1.537 1.441 0 C-N-CA 124.818 1.199 . . . . 1.0 115.022 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -59.8 148.79 33.24 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 125.597 1.559 . . . . 1.0 112.296 178.109 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 24.4 p -124.65 158.8 32.26 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 125.085 1.354 . . . . 1.0 113.125 -174.335 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 17.0 t90 -147.57 159.8 43.35 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.654 1.182 . . . . 1.0 111.495 170.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 78.0 p . . . . . 0 N--CA 1.479 1.008 0 N-CA-C 117.003 2.224 . . . . 1.0 117.003 -168.736 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 2.2 p90 . . . . . 0 N--CA 1.475 0.796 0 N-CA-C 113.944 1.091 . . . . 1.0 113.944 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 7.1 mt . . . . . 0 N--CA 1.472 0.675 0 O-C-N 120.787 -1.195 . . . . 1.0 109.47 169.052 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 64.9 mttm . . . . . 0 N--CA 1.475 0.818 0 N-CA-C 113.036 0.754 . . . . 1.0 113.036 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -138.0 145.43 41.89 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 123.899 0.879 . . . . 1.0 110.791 -173.117 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 66.4 ttt-85 -143.75 115.23 8.08 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.748 1.219 . . . . 1.0 111.701 174.587 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -63.96 118.49 46.29 Favored Pre-proline 0 CA--C 1.549 0.941 0 C-N-CA 125.237 1.415 . . . . 1.0 111.58 177.215 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_endo -71.02 -21.35 27.77 Favored 'Trans proline' 0 CA--C 1.541 0.837 0 C-N-CA 122.572 2.181 . . . . 1.0 114.029 -179.116 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -75.46 -31.21 60.19 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 113.7 1.0 . . . . 1.0 113.7 -177.392 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 63.4 p -133.33 -16.25 2.43 Favored 'General case' 0 N--CA 1.481 1.099 0 N-CA-C 114.876 1.436 . . . . 1.0 114.876 -173.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 87.19 0.23 85.27 Favored Glycine 0 CA--C 1.537 1.435 0 C-N-CA 124.492 1.044 . . . . 1.0 115.177 -178.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -58.88 149.21 27.55 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 125.338 1.455 . . . . 1.0 112.188 175.345 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 31.2 p -130.94 158.61 39.77 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.503 1.121 . . . . 1.0 113.564 -174.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 21.4 t90 -148.31 164.24 34.64 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.964 1.306 . . . . 1.0 110.795 173.209 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 85.0 p . . . . . 0 N--CA 1.48 1.035 0 N-CA-C 116.65 2.093 . . . . 1.0 116.65 -168.646 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.48 1.038 0 N-CA-C 114.561 1.319 . . . . 1.0 114.561 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 5.5 mt . . . . . 0 N--CA 1.472 0.658 0 O-C-N 120.833 -1.167 . . . . 1.0 110.422 169.4 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 30.8 mtpp . . . . . 0 N--CA 1.479 1.011 0 N-CA-C 112.884 0.698 . . . . 1.0 112.884 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 76.9 m-85 -139.22 147.67 42.06 Favored 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 124.67 1.188 . . . . 1.0 111.638 -177.48 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 51.4 ttt180 -144.37 118.26 9.35 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 125.087 1.355 . . . . 1.0 111.299 169.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -63.57 119.12 51.01 Favored Pre-proline 0 CA--C 1.548 0.903 0 C-N-CA 125.347 1.459 . . . . 1.0 111.303 176.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -70.48 -20.9 30.84 Favored 'Trans proline' 0 CA--C 1.542 0.878 0 C-N-CA 122.456 2.104 . . . . 1.0 113.972 -179.357 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -76.16 -32.58 59.15 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 113.751 1.019 . . . . 1.0 113.751 -177.024 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 52.3 p -131.95 -15.32 3.01 Favored 'General case' 0 N--CA 1.483 1.214 0 N-CA-C 114.879 1.437 . . . . 1.0 114.879 -174.072 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 87.06 -0.77 86.3 Favored Glycine 0 CA--C 1.536 1.403 0 C-N-CA 124.744 1.164 . . . . 1.0 115.177 -179.322 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -60.2 149.45 32.99 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 125.832 1.653 . . . . 1.0 112.118 176.515 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 25.1 p -125.72 159.44 32.3 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 124.706 1.202 . . . . 1.0 113.573 -173.258 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 31.5 t90 -150.32 163.5 38.16 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.842 1.257 . . . . 1.0 111.289 172.256 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.7 m . . . . . 0 N--CA 1.48 1.055 0 N-CA-C 115.995 1.85 . . . . 1.0 115.995 -168.4 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.474 0.747 0 N-CA-C 114.93 1.456 . . . . 1.0 114.93 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 9.0 mt . . . . . 0 CA--C 1.539 0.555 0 CA-C-N 119.802 1.183 . . . . 1.0 111.542 169.733 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 28.1 ttt . . . . . 0 N--CA 1.494 1.765 0 N-CA-C 110.474 -0.195 . . . . 1.0 110.474 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 77.3 p -136.42 1.02 2.59 Favored 'General case' 0 N--CA 1.483 1.178 0 N-CA-C 114.758 1.392 . . . . 1.0 114.758 -174.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 46.9 p -139.32 165.88 26.02 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 125.97 1.708 . . . . 1.0 111.543 -179.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.1 p -143.98 143.34 22.51 Favored Pre-proline 0 N--CA 1.48 1.048 0 C-N-CA 124.924 1.29 . . . . 1.0 110.818 179.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_exo -47.54 151.62 3.08 Favored 'Trans proline' 0 CA--C 1.539 0.767 0 C-N-CA 124.379 3.386 . . . . 1.0 115.477 174.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 55.3 tttp -127.24 -30.88 2.61 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 126.169 1.787 . . . . 1.0 112.983 179.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 -137.68 150.71 47.57 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.735 1.214 . . . . 1.0 111.139 -177.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 56.6 ttt180 -145.11 116.21 7.89 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.531 1.132 . . . . 1.0 112.075 174.295 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -63.78 119.09 51.44 Favored Pre-proline 0 CA--C 1.549 0.913 0 C-N-CA 125.664 1.586 . . . . 1.0 111.867 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -72.04 -20.98 24.68 Favored 'Trans proline' 0 CA--C 1.541 0.837 0 C-N-CA 122.697 2.264 . . . . 1.0 114.003 -178.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -75.78 -30.92 59.27 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 113.704 1.001 . . . . 1.0 113.704 -177.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 57.4 p -131.86 -17.12 2.84 Favored 'General case' 0 N--CA 1.483 1.183 0 N-CA-C 114.839 1.422 . . . . 1.0 114.839 -174.043 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 89.23 -2.13 83.22 Favored Glycine 0 CA--C 1.537 1.443 0 C-N-CA 124.763 1.173 . . . . 1.0 115.125 -179.131 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -60.73 149.24 36.09 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.677 1.591 . . . . 1.0 112.626 178.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 23.6 p -123.72 157.7 33.34 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 124.974 1.31 . . . . 1.0 113.089 -174.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 25.4 t90 -149.54 163.63 37.29 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.751 1.221 . . . . 1.0 110.862 171.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.1 m -129.82 14.73 5.86 Favored 'General case' 0 N--CA 1.481 1.105 0 N-CA-C 116.373 1.99 . . . . 1.0 116.373 -168.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 79.57 13.28 82.72 Favored Glycine 0 CA--C 1.539 1.593 0 O-C-N 121.252 -0.905 . . . . 1.0 114.822 177.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -135.66 154.74 51.2 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 125.967 1.707 . . . . 1.0 111.737 -175.344 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 65.77 -166.54 35.5 Favored Glycine 0 CA--C 1.539 1.588 0 C-N-CA 123.403 0.525 . . . . 1.0 113.355 -173.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 26.4 tpt180 -58.61 127.51 32.55 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.075 0.95 . . . . 1.0 111.539 175.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -69.03 136.27 89.52 Favored Pre-proline 0 CA--C 1.555 1.154 0 C-N-CA 124.543 1.137 . . . . 1.0 111.554 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -60.36 157.65 34.83 Favored 'Trans proline' 0 CA--C 1.539 0.756 0 C-N-CA 123.673 2.916 . . . . 1.0 114.396 173.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -65.7 -42.04 91.62 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 113.212 0.819 . . . . 1.0 113.212 175.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 64.7 p-90 -63.2 -24.51 67.91 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 113.729 1.011 . . . . 1.0 113.729 177.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.27 -28.53 69.79 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 124.467 1.107 . . . . 1.0 112.886 174.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -81.17 45.44 3.21 Favored Glycine 0 CA--C 1.537 1.444 0 C-N-CA 125.882 1.706 . . . . 1.0 115.401 -169.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -142.64 -59.56 0.44 Allowed 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 118.256 1.028 . . . . 1.0 112.956 178.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -155.86 81.91 3.75 Favored Pre-proline 0 CA--C 1.545 0.78 0 C-N-CA 124.042 0.937 . . . . 1.0 111.32 -179.272 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.418 ' HA ' ' CE1' ' A' ' 103' ' ' PHE . 81.7 Cg_exo -46.2 -33.84 12.54 Favored 'Trans proline' 0 CA--C 1.538 0.685 0 C-N-CA 124.577 3.518 . . . . 1.0 116.696 -174.004 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.64 -24.14 67.49 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 114.559 1.318 . . . . 1.0 114.559 178.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.17 -26.12 65.59 Favored 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 114.548 1.314 . . . . 1.0 114.548 -174.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.418 ' CE1' ' HA ' ' A' ' 100' ' ' PRO . 1.2 p90 -135.28 17.49 3.41 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 124.94 1.296 . . . . 1.0 113.765 -170.277 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 9.7 mt -61.4 140.8 57.97 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 120.826 -1.171 . . . . 1.0 111.284 169.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 95.6 mt -79.63 135.64 25.18 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.599 0 N-CA-C 108.181 -1.044 . . . . 1.0 108.181 169.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -133.63 154.9 80.89 Favored Pre-proline 0 CA--C 1.547 0.852 0 C-N-CA 125.282 1.433 . . . . 1.0 112.128 -175.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_endo -75.93 64.95 6.88 Favored 'Trans proline' 0 CA--C 1.546 1.12 0 C-N-CA 124.656 3.571 . . . . 1.0 112.476 178.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -55.64 -24.6 34.62 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 125.768 1.627 . . . . 1.0 114.414 176.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 87.8 mt -133.76 155.66 80.18 Favored Pre-proline 0 CA--C 1.549 0.93 0 C-N-CA 127.503 2.321 . . . . 1.0 110.254 170.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -53.18 145.31 43.98 Favored 'Trans proline' 0 C--N 1.353 0.793 0 C-N-CA 123.789 2.993 . . . . 1.0 114.495 179.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -78.64 31.47 0.19 Allowed 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 124.686 1.194 . . . . 1.0 114.213 175.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 17.9 pt -141.72 54.19 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 127.656 2.382 . . . . 1.0 110.341 -176.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 57.8 tp -148.39 144.23 27.35 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 126.461 1.904 . . . . 1.0 110.994 -170.214 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 . . . . . 0 C--O 1.254 1.307 0 C-N-CA 126.055 1.742 . . . . 1.0 112.264 179.546 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 62.1 ttp . . . . . 0 N--CA 1.494 1.771 0 N-CA-C 110.588 -0.153 . . . . 1.0 110.588 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 79.5 p -151.62 167.83 26.89 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 125.034 1.334 . . . . 1.0 112.346 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 14.3 t -143.5 165.57 27.2 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.986 1.314 . . . . 1.0 112.006 176.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 16.2 m -140.59 153.88 68.62 Favored Pre-proline 0 N--CA 1.479 1.01 0 C-N-CA 126.223 1.809 . . . . 1.0 112.041 -176.07 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -66.58 165.6 24.73 Favored 'Trans proline' 0 CA--C 1.539 0.756 0 C-N-CA 122.927 2.418 . . . . 1.0 113.302 173.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 56.8 tttp -111.9 -25.86 9.21 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 126.285 1.834 . . . . 1.0 112.605 177.206 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -138.93 146.45 41.05 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 125.1 1.36 . . . . 1.0 110.4 -176.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 50.8 ttt180 -145.07 121.98 11.31 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 124.752 1.221 . . . . 1.0 111.746 172.018 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -64.05 117.9 40.72 Favored Pre-proline 0 CA--C 1.546 0.812 0 C-N-CA 125.477 1.511 . . . . 1.0 111.277 175.019 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_endo -72.63 -20.35 23.35 Favored 'Trans proline' 0 CA--C 1.543 0.927 0 C-N-CA 122.663 2.242 . . . . 1.0 113.839 -179.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -74.06 -37.93 64.11 Favored 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 113.403 0.89 . . . . 1.0 113.403 -176.29 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 55.5 p -134.64 -10.63 2.41 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 114.874 1.435 . . . . 1.0 114.874 -173.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 94.56 0.24 64.89 Favored Glycine 0 CA--C 1.536 1.348 0 CA-C-O 118.482 -1.176 . . . . 1.0 115.646 172.598 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 47.9 mttp -57.58 147.52 26.86 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 125.298 1.439 . . . . 1.0 112.251 178.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 21.8 p -126.93 156.12 42.01 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 124.659 1.184 . . . . 1.0 113.187 -175.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 26.1 t90 -152.12 165.71 33.92 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.142 1.377 . . . . 1.0 111.179 171.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.6 m -133.84 13.8 3.99 Favored 'General case' 0 N--CA 1.482 1.152 0 N-CA-C 116.968 2.21 . . . . 1.0 116.968 -168.351 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 87.05 13.46 66.3 Favored Glycine 0 CA--C 1.539 1.582 0 CA-C-N 119.331 0.969 . . . . 1.0 115.28 175.038 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 63.5 ttm-85 -135.61 143.67 45.71 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 125.725 1.61 . . . . 1.0 111.294 -177.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 75.86 -167.42 54.7 Favored Glycine 0 CA--C 1.537 1.407 0 C-N-CA 123.435 0.541 . . . . 1.0 112.813 -171.172 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 82.1 mtp180 -62.78 130.68 45.97 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.765 0.826 . . . . 1.0 111.454 177.098 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -65.15 136.26 96.54 Favored Pre-proline 0 CA--C 1.551 1.017 0 C-N-CA 124.176 0.99 . . . . 1.0 111.202 176.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -71.23 155.2 61.18 Favored 'Trans proline' 0 CA--C 1.542 0.915 0 C-N-CA 123.051 2.501 . . . . 1.0 112.794 178.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.96 -39.77 95.67 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 114.244 1.201 . . . . 1.0 114.244 -173.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 32.2 p-90 -62.65 -31.88 72.83 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 113.572 0.953 . . . . 1.0 113.572 -179.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 33.9 tp -73.77 -21.28 60.23 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.94 1.296 . . . . 1.0 113.804 -178.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -76.83 45.78 2.25 Favored Glycine 0 CA--C 1.538 1.502 0 C-N-CA 125.466 1.508 . . . . 1.0 116.335 -170.102 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -146.26 -54.15 0.26 Allowed 'General case' 0 CA--C 1.549 0.907 0 CA-C-N 118.515 1.158 . . . . 1.0 113.869 177.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -155.71 79.81 4.2 Favored Pre-proline 0 CA--C 1.548 0.88 0 C-N-CA 124.105 0.962 . . . . 1.0 111.587 -177.068 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -42.83 -35.6 4.47 Favored 'Trans proline' 0 C--N 1.355 0.893 1 C-N-CA 125.361 4.041 . . . . 1.0 117.223 -171.317 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -57.69 -23.52 52.04 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 114.83 1.418 . . . . 1.0 114.83 179.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.36 -21.31 63.82 Favored 'General case' 0 CA--C 1.548 0.875 0 N-CA-C 114.311 1.226 . . . . 1.0 114.311 177.013 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -138.6 -7.46 1.48 Allowed 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.914 1.285 . . . . 1.0 114.408 -173.238 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 4.8 mt -56.95 129.16 40.41 Favored 'General case' 0 N--CA 1.47 0.543 0 O-C-N 120.842 -1.161 . . . . 1.0 110.039 169.567 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 93.9 mt -71.48 127.96 34.03 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 N-CA-C 108.852 -0.795 . . . . 1.0 108.852 175.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -137.36 151.09 70.72 Favored Pre-proline 0 CA--C 1.547 0.844 0 C-N-CA 125.541 1.536 . . . . 1.0 110.456 -170.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -77.65 -10.23 17.14 Favored 'Trans proline' 0 CA--C 1.542 0.893 0 C-N-CA 123.093 2.528 . . . . 1.0 114.714 -175.038 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 22.8 t70 46.25 29.65 0.87 Allowed 'General case' 0 CA--C 1.554 1.117 0 C-N-CA 126.654 1.982 . . . . 1.0 114.862 -171.462 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 69.1 mt -141.66 161.44 51.98 Favored Pre-proline 0 CA--C 1.548 0.894 0 C-N-CA 126.917 2.087 . . . . 1.0 111.318 -176.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -52.48 158.03 6.25 Favored 'Trans proline' 0 C--N 1.352 0.754 0 C-N-CA 123.902 3.068 . . . . 1.0 114.353 169.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -74.43 35.27 0.1 Allowed 'General case' 0 CA--C 1.554 1.115 0 C-N-CA 125.904 1.682 . . . . 1.0 114.851 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 33.0 mm -135.35 76.86 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 128.612 2.765 . . . . 1.0 106.891 -178.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 16.5 tp -138.6 4.54 2.37 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 124.724 1.21 . . . . 1.0 114.034 -169.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 . . . . . 0 C--O 1.253 1.274 0 C-N-CA 126.564 1.946 . . . . 1.0 112.566 -177.779 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 99.2 mmm . . . . . 0 N--CA 1.497 1.884 0 N-CA-C 110.797 -0.075 . . . . 1.0 110.797 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 58.0 p -73.11 -18.94 61.24 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 114.571 1.323 . . . . 1.0 114.571 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 65.4 p -136.6 164.34 28.44 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 125.978 1.711 . . . . 1.0 111.956 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 15.9 m -140.31 154.44 69.79 Favored Pre-proline 0 N--CA 1.481 1.078 0 C-N-CA 125.716 1.606 . . . . 1.0 111.032 -178.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -68.87 164.06 35.0 Favored 'Trans proline' 0 CA--C 1.54 0.778 0 C-N-CA 122.918 2.412 . . . . 1.0 112.866 176.005 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -130.37 -26.18 2.34 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 126.973 2.109 . . . . 1.0 112.831 -178.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -139.71 151.62 46.02 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 125.024 1.329 . . . . 1.0 111.044 -176.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 57.2 ttm-85 -142.25 120.31 12.12 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.602 1.561 . . . . 1.0 111.032 170.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -64.06 118.9 50.59 Favored Pre-proline 0 CA--C 1.547 0.857 0 C-N-CA 125.266 1.426 . . . . 1.0 111.299 174.355 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -71.05 -21.21 27.85 Favored 'Trans proline' 0 CA--C 1.54 0.791 0 C-N-CA 122.406 2.071 . . . . 1.0 113.98 -178.083 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -74.88 -29.56 61.04 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 113.637 0.977 . . . . 1.0 113.637 -177.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 62.5 p -131.39 -17.61 2.95 Favored 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 115.044 1.498 . . . . 1.0 115.044 -175.104 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 87.89 -3.95 85.8 Favored Glycine 0 CA--C 1.537 1.416 0 C-N-CA 125.208 1.385 . . . . 1.0 114.827 -177.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -61.0 150.24 34.17 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 126.133 1.773 . . . . 1.0 112.409 177.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 31.5 p -124.26 161.7 25.26 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 124.683 1.193 . . . . 1.0 113.866 -172.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . 0.401 ' CH2' ' HA2' ' A' ' 88' ' ' GLY . 22.1 t90 -147.44 166.24 27.81 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.246 1.418 . . . . 1.0 110.661 170.633 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 83.8 p -131.77 1.46 4.0 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 117.783 2.512 . . . . 1.0 117.783 -168.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.401 ' HA2' ' CH2' ' A' ' 86' ' ' TRP . . . 93.69 9.96 59.46 Favored Glycine 0 CA--C 1.538 1.487 0 CA-C-N 119.684 1.129 . . . . 1.0 115.033 -177.664 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 77.1 ttt-85 -135.17 146.67 48.96 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 125.817 1.647 . . . . 1.0 111.648 -176.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 77.88 -170.95 55.11 Favored Glycine 0 CA--C 1.537 1.457 0 C-N-CA 123.847 0.737 . . . . 1.0 113.482 -173.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -59.84 139.56 57.24 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 124.025 0.93 . . . . 1.0 112.066 178.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 -65.11 129.94 94.65 Favored Pre-proline 0 CA--C 1.551 1.013 0 C-N-CA 124.345 1.058 . . . . 1.0 111.516 -178.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_exo -59.25 146.6 94.11 Favored 'Trans proline' 0 C--N 1.352 0.744 0 C-N-CA 123.426 2.75 . . . . 1.0 113.317 172.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.74 -37.93 86.09 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 113.312 0.856 . . . . 1.0 113.312 179.44 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 55.2 p-90 -68.48 -18.92 64.5 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 114.029 1.122 . . . . 1.0 114.029 176.283 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.2 tp -70.89 -20.43 62.51 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 113.579 0.955 . . . . 1.0 113.579 -178.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -82.13 47.91 3.81 Favored Glycine 0 CA--C 1.535 1.291 0 C-N-CA 125.625 1.583 . . . . 1.0 115.61 -170.075 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -144.46 -62.89 0.37 Allowed 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 118.668 1.234 . . . . 1.0 113.336 177.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -158.55 89.72 2.18 Favored Pre-proline 0 CA--C 1.546 0.791 0 C-N-CA 124.142 0.977 . . . . 1.0 111.324 -176.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.548 ' HA ' ' CE1' ' A' ' 103' ' ' PHE . 69.7 Cg_exo -42.21 -39.44 6.1 Favored 'Trans proline' 0 C--N 1.352 0.742 0 C-N-CA 124.936 3.758 . . . . 1.0 116.683 -176.522 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.25 -20.7 66.23 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 114.812 1.412 . . . . 1.0 114.812 -178.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.76 -22.8 63.32 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 113.835 1.05 . . . . 1.0 113.835 176.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.548 ' CE1' ' HA ' ' A' ' 100' ' ' PRO . 3.7 p90 -136.36 -1.62 2.32 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 114.602 1.334 . . . . 1.0 114.602 -174.635 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 7.6 mt -58.41 136.77 57.53 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 120.442 -1.411 . . . . 1.0 109.647 168.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 81.8 mt -67.16 122.02 17.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 N-CA-C 108.429 -0.952 . . . . 1.0 108.429 171.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -145.38 152.1 49.17 Favored Pre-proline 0 CA--C 1.547 0.834 0 C-N-CA 125.874 1.67 . . . . 1.0 110.834 -171.085 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -67.93 138.07 43.23 Favored 'Trans proline' 0 CA--C 1.541 0.846 0 C-N-CA 122.42 2.08 . . . . 1.0 111.924 -176.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -55.22 -27.41 45.92 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 114.976 1.473 . . . . 1.0 114.976 -178.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 7.8 tt -140.5 135.79 16.15 Favored Pre-proline 0 CA--C 1.545 0.778 0 C-N-CA 127.501 2.321 . . . . 1.0 108.233 173.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -73.24 74.55 3.04 Favored 'Trans proline' 0 CA--C 1.541 0.872 0 C-N-CA 124.186 3.257 . . . . 1.0 113.422 -176.115 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -143.95 39.19 1.34 Allowed 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 126.643 1.977 . . . . 1.0 111.83 -178.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . 0.287 9.8 tp 33.43 60.12 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 C-N-CA 128.263 2.625 . . . . 1.0 114.166 -176.42 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 86.3 mt -68.8 -26.93 65.44 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 114.25 -1.341 . . . . 1.0 114.119 -172.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 . . . . . 0 C--O 1.254 1.29 0 C-N-CA 126.172 1.789 . . . . 1.0 113.632 -178.187 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 27.9 ttt . . . . . 0 N--CA 1.493 1.707 0 N-CA-C 110.673 -0.121 . . . . 1.0 110.673 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 79.3 p -149.87 169.19 21.7 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.327 1.451 . . . . 1.0 112.235 -179.339 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 13.7 t -143.67 165.43 27.65 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 125.004 1.322 . . . . 1.0 112.114 177.468 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 8.9 p -146.0 142.03 17.3 Favored Pre-proline 0 N--CA 1.477 0.908 0 C-N-CA 126.13 1.772 . . . . 1.0 111.059 -178.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -63.78 160.59 36.13 Favored 'Trans proline' 0 CA--C 1.538 0.699 0 C-N-CA 123.578 2.852 . . . . 1.0 113.7 175.17 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -92.44 -30.52 15.7 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.741 1.616 . . . . 1.0 112.942 173.246 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -138.79 150.73 46.4 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 119.08 0.855 . . . . 1.0 111.988 -171.009 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 60.3 ttp180 -143.56 112.19 6.47 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.659 1.584 . . . . 1.0 110.528 174.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -63.41 118.52 44.68 Favored Pre-proline 0 CA--C 1.547 0.85 0 C-N-CA 125.036 1.335 . . . . 1.0 111.62 177.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -72.01 -20.07 25.85 Favored 'Trans proline' 0 CA--C 1.542 0.902 0 C-N-CA 122.555 2.17 . . . . 1.0 113.958 -175.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -79.1 -26.02 42.97 Favored 'General case' 0 CA--C 1.549 0.91 0 N-CA-C 113.764 1.024 . . . . 1.0 113.764 -178.387 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 71.8 p -134.33 -20.87 1.84 Allowed 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 115.195 1.554 . . . . 1.0 115.195 -173.128 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 86.48 0.03 86.68 Favored Glycine 0 CA--C 1.541 1.669 0 C-N-CA 124.64 1.114 . . . . 1.0 114.819 -175.068 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 57.8 mtmt -59.24 149.24 29.08 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-N 119.093 1.446 . . . . 1.0 111.97 174.305 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 36.5 p -132.27 159.34 39.37 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 124.31 1.044 . . . . 1.0 113.282 -174.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 23.3 t90 -151.07 160.76 43.7 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.149 0.979 . . . . 1.0 111.807 175.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 91.9 p -139.54 -8.57 1.26 Allowed 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 115.912 1.819 . . . . 1.0 115.912 -169.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 117.63 -21.95 10.3 Favored Glycine 0 CA--C 1.538 1.482 0 C-N-CA 124.272 0.939 . . . . 1.0 113.819 -175.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 84.0 mtp180 -72.13 149.3 44.86 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.718 1.207 . . . . 1.0 112.066 178.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 61.33 -166.01 15.79 Favored Glycine 0 CA--C 1.542 1.724 0 C-N-CA 124.206 0.907 . . . . 1.0 114.469 179.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -66.31 141.54 57.96 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.715 0.806 . . . . 1.0 111.251 172.111 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -64.1 134.12 95.84 Favored Pre-proline 0 CA--C 1.555 1.162 0 C-N-CA 123.856 0.863 . . . . 1.0 111.744 178.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_exo -59.3 157.83 29.04 Favored 'Trans proline' 0 CA--C 1.541 0.832 0 C-N-CA 123.573 2.849 . . . . 1.0 114.976 175.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -66.67 -39.54 88.21 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 113.475 0.917 . . . . 1.0 113.475 177.296 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 61.9 p-90 -64.1 -31.38 72.55 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.607 0.763 . . . . 1.0 113.042 177.072 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.74 -34.95 71.95 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.489 1.516 . . . . 1.0 113.229 176.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -78.32 46.72 2.81 Favored Glycine 0 CA--C 1.539 1.55 0 C-N-CA 125.895 1.712 . . . . 1.0 115.059 -173.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -135.5 -64.02 0.65 Allowed 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.663 1.185 . . . . 1.0 111.595 -178.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -157.56 79.81 3.38 Favored Pre-proline 0 CA--C 1.547 0.837 0 C-N-CA 125.173 1.389 . . . . 1.0 109.704 175.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -43.84 -41.63 11.9 Favored 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 124.643 3.562 . . . . 1.0 116.59 -169.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.91 -22.9 67.08 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 114.598 1.333 . . . . 1.0 114.598 -178.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.2 -25.86 67.12 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 113.873 1.064 . . . . 1.0 113.873 -177.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 1.8 p90 -131.91 14.4 4.79 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.582 1.553 . . . . 1.0 112.316 -177.311 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.9 tt -71.22 128.9 37.47 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.548 1.139 . . . . 1.0 108.544 169.549 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 70.3 mt -66.21 120.13 12.71 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.599 0 C-N-CA 124.646 1.178 . . . . 1.0 109.676 -178.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -139.28 162.85 49.56 Favored Pre-proline 0 CA--C 1.55 0.97 0 C-N-CA 125.558 1.543 . . . . 1.0 111.373 -170.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -61.02 -15.6 40.21 Favored 'Trans proline' 0 CA--C 1.542 0.88 0 C-N-CA 123.889 3.059 . . . . 1.0 117.004 -179.133 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 23.5 t70 49.66 24.69 1.25 Allowed 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 126.718 2.007 . . . . 1.0 114.563 -170.012 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 80.5 mt -142.15 159.33 59.06 Favored Pre-proline 0 CA--C 1.549 0.922 0 C-N-CA 127.467 2.307 . . . . 1.0 110.57 -179.087 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -52.63 145.98 36.25 Favored 'Trans proline' 0 CA--C 1.54 0.789 0 C-N-CA 123.734 2.956 . . . . 1.0 113.995 171.26 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -140.53 31.81 1.87 Allowed 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.736 1.214 . . . . 1.0 112.825 177.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 32.6 mm -133.1 74.32 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 127.514 2.326 . . . . 1.0 107.354 -177.16 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 56.1 tp -149.66 144.96 26.47 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.735 1.614 . . . . 1.0 110.987 -171.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 . . . . . 0 C--O 1.254 1.339 0 C-N-CA 126.236 1.814 . . . . 1.0 111.641 179.302 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 14.1 tpt . . . . . 0 N--CA 1.494 1.759 0 N-CA-C 110.728 -0.101 . . . . 1.0 110.728 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 29.2 m -61.91 156.94 19.57 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.748 1.219 . . . . 1.0 113.428 178.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 44.3 p -136.83 163.4 30.73 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.497 1.519 . . . . 1.0 112.026 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 17.0 m -140.4 156.02 69.78 Favored Pre-proline 0 N--CA 1.48 1.07 0 C-N-CA 125.575 1.55 . . . . 1.0 111.98 -177.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -67.61 164.74 29.92 Favored 'Trans proline' 0 CA--C 1.538 0.713 0 C-N-CA 122.783 2.322 . . . . 1.0 112.482 170.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -112.85 -19.26 12.04 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 126.788 2.035 . . . . 1.0 112.24 176.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -145.11 145.59 31.47 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.908 1.283 . . . . 1.0 110.268 -178.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 52.2 ttt180 -146.69 119.74 8.81 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.475 1.11 . . . . 1.0 111.797 173.187 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -64.51 118.43 47.45 Favored Pre-proline 0 CA--C 1.547 0.86 0 C-N-CA 124.963 1.305 . . . . 1.0 111.676 175.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_endo -72.86 -20.55 22.28 Favored 'Trans proline' 0 CA--C 1.539 0.773 0 C-N-CA 122.574 2.183 . . . . 1.0 113.973 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -74.57 -33.0 62.58 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 113.561 0.949 . . . . 1.0 113.561 -176.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 49.5 p -131.39 -14.89 3.27 Favored 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 114.762 1.393 . . . . 1.0 114.762 -175.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 91.69 -2.01 76.2 Favored Glycine 0 CA--C 1.537 1.419 0 C-N-CA 125.034 1.302 . . . . 1.0 115.328 177.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -59.59 147.21 37.99 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 125.625 1.57 . . . . 1.0 112.535 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 22.8 p -126.88 155.59 42.75 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 125.093 1.357 . . . . 1.0 113.167 -172.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 26.9 t90 -152.4 165.02 36.32 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.061 1.344 . . . . 1.0 110.907 172.517 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 91.4 p -135.23 -12.85 2.12 Favored 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 116.965 2.209 . . . . 1.0 116.965 -169.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 119.96 -17.87 9.89 Favored Glycine 0 CA--C 1.538 1.521 0 C-N-CA 124.376 0.988 . . . . 1.0 114.234 -175.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 59.2 ttt85 -68.38 129.0 38.64 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.559 1.143 . . . . 1.0 111.629 177.179 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 65.7 -165.64 36.77 Favored Glycine 0 CA--C 1.54 1.599 0 C-N-CA 123.812 0.72 . . . . 1.0 114.083 -179.402 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 44.3 ttm180 -66.57 141.81 57.71 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.868 0.867 . . . . 1.0 111.152 172.283 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 20.4 pm0 -59.08 149.24 67.9 Favored Pre-proline 0 CA--C 1.551 1.003 0 C-N-CA 124.307 1.043 . . . . 1.0 113.28 176.077 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -74.5 160.06 42.12 Favored 'Trans proline' 0 CA--C 1.54 0.775 0 C-N-CA 123.081 2.52 . . . . 1.0 112.252 178.423 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.82 -35.52 73.02 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 114.521 1.304 . . . . 1.0 114.521 -173.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 53.1 p-90 -63.9 -26.99 68.85 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 113.672 0.99 . . . . 1.0 113.672 177.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.8 tp -70.35 -20.79 62.95 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 113.796 1.036 . . . . 1.0 113.796 -178.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -49.67 -40.72 33.45 Favored Glycine 0 CA--C 1.534 1.229 0 C-N-CA 125.953 1.74 . . . . 1.0 116.834 -169.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -62.24 -55.8 24.83 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 113.488 0.922 . . . . 1.0 113.488 -173.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -170.59 98.89 0.43 Allowed Pre-proline 0 CA--C 1.55 0.946 0 C-N-CA 125.125 1.37 . . . . 1.0 111.065 -175.01 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo -42.37 -37.3 4.99 Favored 'Trans proline' 0 C--N 1.352 0.756 0 C-N-CA 124.813 3.675 . . . . 1.0 116.248 179.104 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -60.85 -21.05 62.83 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 114.863 1.431 . . . . 1.0 114.863 179.1 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.96 -24.44 65.16 Favored 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 113.932 1.086 . . . . 1.0 113.932 176.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -139.41 0.88 1.92 Allowed 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.995 1.318 . . . . 1.0 114.487 -172.188 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 3.3 mt -54.18 149.69 9.33 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.518 1.527 . . . . 1.0 113.498 170.064 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 45.2 mt -122.05 130.65 74.39 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 C-N-CA 126.751 2.021 . . . . 1.0 108.259 175.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -134.86 149.5 70.74 Favored Pre-proline 0 CA--C 1.549 0.929 0 C-N-CA 125.172 1.389 . . . . 1.0 111.312 176.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -81.23 -7.09 13.0 Favored 'Trans proline' 0 CA--C 1.543 0.963 0 C-N-CA 123.236 2.624 . . . . 1.0 115.156 -172.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 25.0 t0 47.47 34.59 3.5 Favored 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 126.057 1.743 . . . . 1.0 113.975 -171.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 16.6 tp -145.72 138.81 14.19 Favored Pre-proline 0 CA--C 1.549 0.912 0 C-N-CA 126.656 1.982 . . . . 1.0 109.647 -176.242 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -66.49 139.38 53.62 Favored 'Trans proline' 0 CA--C 1.542 0.906 0 C-N-CA 122.507 2.138 . . . . 1.0 111.818 176.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -153.26 169.37 23.22 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.246 1.418 . . . . 1.0 112.075 -174.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . 0.274 0.2 OUTLIER -84.94 57.23 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 CA-C-O 123.98 1.847 . . . . 1.0 110.52 178.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 97.2 mt -127.66 6.01 6.17 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 126.949 2.1 . . . . 1.0 113.038 -174.256 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 . . . . . 0 C--O 1.255 1.368 0 C-N-CA 126.658 1.983 . . . . 1.0 112.015 -179.764 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 28.1 ttt . . . . . 0 N--CA 1.494 1.768 0 N-CA-C 110.405 -0.22 . . . . 1.0 110.405 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 18.6 m -70.52 -18.57 62.94 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 115.35 1.611 . . . . 1.0 115.35 -171.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 45.7 p -137.42 165.96 24.99 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 126.143 1.777 . . . . 1.0 111.946 -177.127 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 9.8 p -146.07 140.65 15.74 Favored Pre-proline 0 N--CA 1.48 1.03 0 C-N-CA 124.891 1.276 . . . . 1.0 111.057 178.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -68.15 164.2 33.08 Favored 'Trans proline' 0 CA--C 1.541 0.874 0 C-N-CA 123.391 2.727 . . . . 1.0 113.045 175.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 23.8 ttmm -122.04 -22.94 5.51 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 126.382 1.873 . . . . 1.0 112.38 178.008 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -140.41 147.23 39.41 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.74 1.216 . . . . 1.0 110.284 179.069 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 60.7 ttp180 -144.5 110.34 5.36 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.499 1.12 . . . . 1.0 111.164 177.438 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -59.99 115.92 15.02 Favored Pre-proline 0 CA--C 1.546 0.802 0 C-N-CA 125.54 1.536 . . . . 1.0 111.732 177.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -71.37 -19.24 29.12 Favored 'Trans proline' 0 CA--C 1.541 0.868 0 C-N-CA 122.409 2.073 . . . . 1.0 113.677 -177.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -77.37 -33.4 55.23 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 113.717 1.006 . . . . 1.0 113.717 -177.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 48.7 p -134.92 -14.2 2.11 Favored 'General case' 0 N--CA 1.482 1.15 0 N-CA-C 115.383 1.623 . . . . 1.0 115.383 -172.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 88.4 2.25 80.03 Favored Glycine 0 CA--C 1.539 1.538 0 C-N-CA 124.445 1.021 . . . . 1.0 115.242 179.184 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -59.61 149.52 30.05 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 125.417 1.487 . . . . 1.0 112.052 175.06 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 37.5 p -135.86 159.91 40.22 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 113.976 1.102 . . . . 1.0 113.976 -175.14 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 22.8 t90 -150.88 164.63 35.84 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.543 1.537 . . . . 1.0 110.15 171.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 88.1 p -135.71 -9.9 2.11 Favored 'General case' 0 N--CA 1.481 1.121 0 N-CA-C 117.873 2.546 . . . . 1.0 117.873 -169.051 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 120.3 -0.89 12.87 Favored Glycine 0 CA--C 1.538 1.521 0 CA-C-N 119.787 1.176 . . . . 1.0 115.602 -177.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -135.31 149.5 49.78 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 125.505 1.522 . . . . 1.0 111.82 -173.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 70.66 -178.45 32.1 Favored Glycine 0 CA--C 1.539 1.591 0 C-N-CA 124.177 0.894 . . . . 1.0 113.071 -172.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 39.6 ttp-105 -60.25 124.8 21.39 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.809 0.843 . . . . 1.0 111.569 177.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -73.06 132.13 82.89 Favored Pre-proline 0 CA--C 1.551 1.018 0 C-N-CA 124.875 1.27 . . . . 1.0 110.922 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -75.16 156.73 42.31 Favored 'Trans proline' 0 CA--C 1.543 0.935 0 C-N-CA 123.009 2.473 . . . . 1.0 113.853 -175.293 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.33 -35.74 80.03 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 115.54 1.681 . . . . 1.0 115.54 -169.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 66.6 p-90 -61.91 -31.58 71.89 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 118.666 0.666 . . . . 1.0 112.704 175.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.9 tt -80.4 -43.07 21.65 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.855 1.262 . . . . 1.0 112.16 -169.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -55.37 -31.03 56.58 Favored Glycine 0 CA--C 1.534 1.228 0 C-N-CA 124.844 1.211 . . . . 1.0 116.086 -177.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 50.8 t30 -58.58 -47.5 84.06 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.857 1.263 . . . . 1.0 113.918 -176.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -160.81 77.69 2.47 Favored Pre-proline 0 CA--C 1.55 0.949 0 C-N-CA 124.648 1.179 . . . . 1.0 111.008 178.121 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -47.33 -41.16 28.57 Favored 'Trans proline' 0 C--N 1.353 0.769 0 C-N-CA 124.452 3.435 . . . . 1.0 116.589 -169.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.56 -18.84 65.59 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 114.837 1.421 . . . . 1.0 114.837 -176.038 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.39 -28.51 69.74 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 114.285 1.217 . . . . 1.0 114.285 -176.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -136.72 19.49 3.07 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 126.058 1.743 . . . . 1.0 112.68 -173.341 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 3.0 tt -71.21 124.06 23.61 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.965 1.306 . . . . 1.0 109.982 172.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 64.1 mt -70.1 126.46 30.31 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 124.945 1.298 . . . . 1.0 109.933 -178.437 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 21.7 mm-40 -137.32 151.9 72.31 Favored Pre-proline 0 CA--C 1.551 0.996 0 C-N-CA 125.714 1.606 . . . . 1.0 109.563 172.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -72.8 -26.04 16.27 Favored 'Trans proline' 0 C--N 1.351 0.666 0 C-N-CA 122.647 2.231 . . . . 1.0 115.993 -169.494 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -170.89 -39.73 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 126.517 1.927 . . . . 1.0 112.434 175.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 65.6 mt -140.23 161.85 53.13 Favored Pre-proline 0 CA--C 1.548 0.878 0 C-N-CA 127.811 2.444 . . . . 1.0 110.605 176.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -52.42 139.3 55.84 Favored 'Trans proline' 0 C--N 1.352 0.712 0 C-N-CA 123.421 2.748 . . . . 1.0 114.025 177.354 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -76.21 33.02 0.12 Allowed 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 125.535 1.534 . . . . 1.0 114.18 175.397 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 21.5 pt -138.27 52.35 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 C-N-CA 127.513 2.325 . . . . 1.0 110.685 -178.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 22.0 tp -135.76 1.81 2.83 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 126.064 1.745 . . . . 1.0 113.81 -169.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 . . . . . 0 N--CA 1.486 1.329 0 C-N-CA 128.422 2.689 . . . . 1.0 115.414 -175.88 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 25.4 ptt? . . . . . 0 N--CA 1.497 1.921 0 N-CA-C 111.885 0.328 . . . . 1.0 111.885 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 58.7 p -70.43 -14.89 62.74 Favored 'General case' 0 N--CA 1.481 1.093 0 N-CA-C 115.974 1.842 . . . . 1.0 115.974 -174.16 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 42.3 p -134.14 165.93 23.93 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 125.646 1.578 . . . . 1.0 112.488 -178.229 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 16.8 m -140.47 155.12 69.98 Favored Pre-proline 0 N--CA 1.482 1.15 0 C-N-CA 125.397 1.479 . . . . 1.0 111.965 -178.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -67.72 166.09 25.41 Favored 'Trans proline' 0 CA--C 1.541 0.849 0 C-N-CA 123.171 2.581 . . . . 1.0 112.76 171.046 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -120.54 -23.4 6.1 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 126.598 1.959 . . . . 1.0 112.629 179.191 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 -140.63 148.03 40.26 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 124.744 1.218 . . . . 1.0 110.429 -179.368 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 51.2 ttt180 -144.52 118.82 9.56 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 123.697 0.799 . . . . 1.0 111.822 172.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -61.27 117.72 29.49 Favored Pre-proline 0 CA--C 1.546 0.8 0 C-N-CA 125.922 1.689 . . . . 1.0 111.848 178.176 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -72.3 -19.83 25.11 Favored 'Trans proline' 0 CA--C 1.542 0.875 0 C-N-CA 122.533 2.155 . . . . 1.0 113.877 -177.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -74.8 -38.36 62.11 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 113.593 0.96 . . . . 1.0 113.593 -177.226 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 56.2 p -136.44 -10.59 1.9 Allowed 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 115.216 1.561 . . . . 1.0 115.216 -173.32 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 94.4 1.66 64.22 Favored Glycine 0 CA--C 1.535 1.302 0 CA-C-O 118.64 -1.089 . . . . 1.0 115.788 172.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 48.9 mttp -57.95 149.24 23.45 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 125.561 1.545 . . . . 1.0 112.166 177.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 24.8 p -126.12 155.53 41.49 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 124.623 1.169 . . . . 1.0 113.632 -176.104 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 20.5 t90 -147.66 165.19 31.18 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.26 1.424 . . . . 1.0 110.498 170.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 90.9 p -136.28 5.5 3.0 Favored 'General case' 0 N--CA 1.485 1.279 0 N-CA-C 117.215 2.302 . . . . 1.0 117.215 -168.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 95.24 4.08 61.3 Favored Glycine 0 CA--C 1.54 1.595 0 CA-C-N 119.483 1.038 . . . . 1.0 115.038 -179.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -137.61 155.75 48.83 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 125.807 1.643 . . . . 1.0 111.636 -174.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 71.42 -167.68 51.75 Favored Glycine 0 CA--C 1.537 1.446 0 C-N-CA 123.979 0.799 . . . . 1.0 113.721 179.292 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -64.15 102.73 0.53 Allowed 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.957 1.303 . . . . 1.0 111.483 177.35 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 42.6 tt0 -60.97 134.91 92.93 Favored Pre-proline 0 CA--C 1.551 1.012 0 C-N-CA 124.822 1.249 . . . . 1.0 111.699 178.457 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -76.68 162.42 32.81 Favored 'Trans proline' 0 CA--C 1.541 0.872 0 C-N-CA 123.07 2.514 . . . . 1.0 113.26 -179.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.81 -37.99 88.9 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 114.545 1.313 . . . . 1.0 114.545 -172.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 63.8 p-90 -62.85 -24.15 67.64 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 113.573 0.953 . . . . 1.0 113.573 -179.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.77 -28.49 69.61 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.476 1.11 . . . . 1.0 112.89 175.048 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -80.65 46.66 3.34 Favored Glycine 0 CA--C 1.538 1.495 0 C-N-CA 125.814 1.673 . . . . 1.0 115.524 -170.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -142.25 -60.97 0.45 Allowed 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 118.347 1.073 . . . . 1.0 112.906 178.118 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -154.71 79.47 4.77 Favored Pre-proline 0 CA--C 1.544 0.733 0 C-N-CA 124.275 1.03 . . . . 1.0 110.755 179.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_exo -45.99 -39.68 19.95 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 124.469 3.446 . . . . 1.0 116.551 -170.506 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.99 -21.29 66.4 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 114.657 1.354 . . . . 1.0 114.657 -178.552 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.51 -27.21 67.59 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 113.785 1.032 . . . . 1.0 113.785 -177.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -132.36 12.07 4.56 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 125.47 1.508 . . . . 1.0 112.778 -175.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 3.6 tt -66.17 131.63 46.59 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.35 1.06 . . . . 1.0 108.566 169.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 77.6 mt -66.18 110.59 1.4 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 C-N-CA 124.3 1.04 . . . . 1.0 108.973 177.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -140.99 164.62 34.79 Favored Pre-proline 0 CA--C 1.547 0.847 0 C-N-CA 125.252 1.421 . . . . 1.0 111.651 -169.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -54.61 -9.02 1.46 Allowed 'Trans proline' 0 C--N 1.355 0.91 0 C-N-CA 124.738 3.625 . . . . 1.0 118.266 -175.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -57.43 -24.03 53.12 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 125.178 1.391 . . . . 1.0 113.065 169.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.3 pp -125.42 158.92 62.6 Favored Pre-proline 0 CA--C 1.55 0.958 0 C-N-CA 127.706 2.402 . . . . 1.0 111.114 176.371 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -75.87 66.64 6.74 Favored 'Trans proline' 0 CA--C 1.541 0.838 0 C-N-CA 124.578 3.519 . . . . 1.0 113.296 -175.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -76.36 52.7 0.78 Allowed 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 127.763 2.425 . . . . 1.0 112.86 -178.282 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . 0.304 8.8 tp 36.01 58.36 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 127.579 2.352 . . . . 1.0 113.624 -171.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 90.8 mt -71.87 -18.26 62.07 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 113.528 -1.669 . . . . 1.0 114.313 -169.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 . . . . . 0 C--O 1.254 1.305 0 C-N-CA 126.169 1.788 . . . . 1.0 112.434 -179.973 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 65.7 mtt . . . . . 0 N--CA 1.497 1.886 0 N-CA-C 110.319 -0.252 . . . . 1.0 110.319 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 20.2 m -133.88 12.15 3.99 Favored 'General case' 0 N--CA 1.485 1.297 0 N-CA-C 114.126 1.158 . . . . 1.0 114.126 -169.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 72.4 p -72.48 161.7 30.45 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.311 1.044 . . . . 1.0 112.727 176.561 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.7 p -146.56 139.53 14.4 Favored Pre-proline 0 N--CA 1.478 0.954 0 C-N-CA 125.166 1.386 . . . . 1.0 110.97 178.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -68.72 165.96 27.78 Favored 'Trans proline' 0 CA--C 1.538 0.686 0 C-N-CA 123.677 2.918 . . . . 1.0 113.644 177.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -121.02 -29.26 4.61 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 126.31 1.844 . . . . 1.0 112.663 -179.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -135.1 148.22 49.75 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 125.149 1.38 . . . . 1.0 110.349 -177.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 51.3 ttt180 -145.61 117.02 7.98 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.14 0.976 . . . . 1.0 111.859 175.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -62.2 118.46 40.05 Favored Pre-proline 0 CA--C 1.549 0.906 0 C-N-CA 125.309 1.444 . . . . 1.0 111.926 178.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -71.18 -20.67 28.06 Favored 'Trans proline' 0 CA--C 1.539 0.774 0 C-N-CA 122.62 2.213 . . . . 1.0 113.976 -177.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -77.26 -31.36 54.89 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 113.736 1.013 . . . . 1.0 113.736 -177.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 51.6 p -132.63 -17.01 2.58 Favored 'General case' 0 N--CA 1.481 1.122 0 N-CA-C 115.205 1.557 . . . . 1.0 115.205 -173.002 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 88.65 -0.79 83.18 Favored Glycine 0 CA--C 1.538 1.477 0 C-N-CA 124.77 1.176 . . . . 1.0 115.124 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -59.31 149.35 29.13 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 125.746 1.619 . . . . 1.0 112.306 176.45 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 24.5 p -126.57 157.68 38.2 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 124.723 1.209 . . . . 1.0 113.518 -174.15 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 26.0 t90 -145.97 161.63 39.64 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.191 1.396 . . . . 1.0 110.309 170.004 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.6 m -128.19 14.77 6.74 Favored 'General case' 0 N--CA 1.481 1.105 0 N-CA-C 116.53 2.048 . . . . 1.0 116.53 -168.279 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 85.08 7.7 83.12 Favored Glycine 0 CA--C 1.538 1.508 0 O-C-N 121.192 -0.942 . . . . 1.0 115.349 174.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 83.1 mtp180 -135.58 153.96 51.51 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 125.535 1.534 . . . . 1.0 111.957 -177.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 66.34 -170.68 30.24 Favored Glycine 0 CA--C 1.54 1.606 0 C-N-CA 123.862 0.744 . . . . 1.0 113.774 -174.269 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 -64.12 111.34 2.51 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.241 1.016 . . . . 1.0 111.229 175.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -61.28 148.21 85.73 Favored Pre-proline 0 CA--C 1.55 0.961 0 C-N-CA 123.678 0.791 . . . . 1.0 112.689 176.01 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -74.46 165.3 32.03 Favored 'Trans proline' 0 CA--C 1.541 0.835 0 C-N-CA 123.258 2.639 . . . . 1.0 112.831 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.88 -37.69 77.14 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 114.297 1.221 . . . . 1.0 114.297 -173.35 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 64.1 p-90 -65.91 -23.94 66.74 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 113.695 0.998 . . . . 1.0 113.695 177.019 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.24 -33.42 73.25 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.141 0.976 . . . . 1.0 112.52 177.482 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -78.02 45.74 2.56 Favored Glycine 0 CA--C 1.537 1.412 0 C-N-CA 125.771 1.653 . . . . 1.0 115.566 -171.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -142.56 -57.44 0.44 Allowed 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 118.236 1.018 . . . . 1.0 113.011 178.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -155.03 79.54 4.58 Favored Pre-proline 0 CA--C 1.548 0.879 0 C-N-CA 123.974 0.909 . . . . 1.0 111.455 -179.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -46.82 -34.08 15.27 Favored 'Trans proline' 0 C--N 1.353 0.806 0 C-N-CA 124.607 3.538 . . . . 1.0 116.898 -172.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.47 -24.47 67.17 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 114.449 1.277 . . . . 1.0 114.449 179.562 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.79 -24.59 65.33 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 114.654 1.353 . . . . 1.0 114.654 -171.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -136.33 20.06 3.16 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 125.299 1.44 . . . . 1.0 113.266 -170.331 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 10.4 mt -60.96 140.93 57.65 Favored 'General case' 0 N--CA 1.474 0.732 0 O-C-N 120.772 -1.205 . . . . 1.0 110.563 169.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 76.5 mt -78.38 120.43 29.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 123.655 0.782 . . . . 1.0 108.917 173.19 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -140.62 154.69 69.4 Favored Pre-proline 0 CA--C 1.548 0.889 0 C-N-CA 125.524 1.529 . . . . 1.0 111.127 -177.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -76.21 66.07 7.06 Favored 'Trans proline' 0 CA--C 1.546 1.111 0 C-N-CA 124.537 3.491 . . . . 1.0 112.375 176.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -55.96 -24.91 41.28 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 125.873 1.669 . . . . 1.0 114.318 178.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 85.3 mt -135.08 156.35 78.35 Favored Pre-proline 0 CA--C 1.549 0.926 0 C-N-CA 127.778 2.431 . . . . 1.0 110.025 169.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -51.36 143.32 34.84 Favored 'Trans proline' 0 CA--C 1.542 0.907 0 C-N-CA 123.789 2.992 . . . . 1.0 114.643 177.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -147.59 160.33 42.77 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.364 1.466 . . . . 1.0 111.774 178.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . 0.292 7.3 tp 31.45 62.15 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 C-N-CA 127.818 2.447 . . . . 1.0 114.727 -178.791 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 65.5 tp -146.59 -44.05 0.19 Allowed 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.3 1.44 . . . . 1.0 113.019 -175.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 . . . . . 0 C--O 1.253 1.254 0 C-N-CA 126.149 1.779 . . . . 1.0 113.314 -179.258 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 27.9 ttt . . . . . 0 N--CA 1.494 1.737 0 CA-C-O 118.673 -0.68 . . . . 1.0 111.322 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 73.7 p -137.08 6.13 2.83 Favored 'General case' 0 N--CA 1.485 1.32 0 N-CA-C 115.037 1.495 . . . . 1.0 115.037 -169.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 50.7 p -138.85 162.03 35.8 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 125.392 1.477 . . . . 1.0 112.026 -177.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 16.4 m -140.68 155.52 69.4 Favored Pre-proline 0 N--CA 1.482 1.133 0 C-N-CA 125.63 1.572 . . . . 1.0 111.619 -178.403 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -68.87 165.71 28.91 Favored 'Trans proline' 0 CA--C 1.542 0.89 0 C-N-CA 122.976 2.451 . . . . 1.0 112.537 170.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 56.6 tttp -128.32 -23.14 3.29 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 126.521 1.929 . . . . 1.0 112.79 177.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -139.37 144.64 38.27 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 125.122 1.369 . . . . 1.0 109.819 -177.22 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 52.7 ttt180 -145.21 121.76 11.07 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 124.542 1.137 . . . . 1.0 111.507 175.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -64.7 117.67 40.54 Favored Pre-proline 0 CA--C 1.546 0.809 0 C-N-CA 125.026 1.331 . . . . 1.0 111.683 175.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -71.59 -20.98 26.25 Favored 'Trans proline' 0 CA--C 1.544 0.977 0 C-N-CA 122.465 2.11 . . . . 1.0 113.726 -179.263 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -75.23 -34.13 61.4 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 113.799 1.037 . . . . 1.0 113.799 -176.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 46.1 p -132.63 -14.85 2.8 Favored 'General case' 0 N--CA 1.482 1.147 0 N-CA-C 114.733 1.383 . . . . 1.0 114.733 -174.122 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 92.08 -0.98 73.17 Favored Glycine 0 CA--C 1.537 1.468 0 C-N-CA 124.768 1.175 . . . . 1.0 115.537 177.159 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -58.87 148.8 28.8 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 125.634 1.574 . . . . 1.0 112.509 178.587 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 14.3 p -128.04 153.49 46.72 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 124.789 1.236 . . . . 1.0 113.412 -172.2 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 28.0 t90 -149.41 166.52 28.82 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.655 1.582 . . . . 1.0 110.596 173.319 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 87.5 p -133.37 6.62 3.84 Favored 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 117.205 2.298 . . . . 1.0 117.205 -168.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 88.73 18.7 54.06 Favored Glycine 0 CA--C 1.537 1.411 0 CA-C-N 119.357 0.981 . . . . 1.0 114.629 178.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 78.9 mtp85 -125.42 140.37 52.85 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.819 1.648 . . . . 1.0 110.729 -178.03 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 66.43 -169.83 32.2 Favored Glycine 0 CA--C 1.54 1.624 0 C-N-CA 123.581 0.61 . . . . 1.0 113.094 -169.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 80.7 ttt180 -63.46 139.0 58.72 Favored 'General case' 0 N--CA 1.478 0.94 0 O-C-N 121.728 -0.866 . . . . 1.0 111.28 173.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -58.49 153.28 40.17 Favored Pre-proline 0 CA--C 1.549 0.935 0 C-N-CA 123.681 0.792 . . . . 1.0 113.13 176.111 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -73.86 162.08 40.11 Favored 'Trans proline' 0 CA--C 1.541 0.846 0 C-N-CA 122.909 2.406 . . . . 1.0 111.576 169.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -65.98 -37.79 86.85 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 113.448 0.907 . . . . 1.0 113.448 -178.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 37.5 p-90 -62.15 -21.95 65.47 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 113.936 1.087 . . . . 1.0 113.936 179.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 7.0 tp -68.32 -15.4 63.55 Favored 'General case' 0 CA--C 1.55 0.943 0 N-CA-C 113.439 0.903 . . . . 1.0 113.439 176.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 50.45 -128.6 28.08 Favored Glycine 0 CA--C 1.538 1.5 0 C-N-CA 124.367 0.984 . . . . 1.0 113.238 -178.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -126.18 14.17 7.8 Favored 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 125.059 1.344 . . . . 1.0 113.068 178.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -147.23 79.18 9.93 Favored Pre-proline 0 CA--C 1.551 0.983 0 C-N-CA 125.025 1.33 . . . . 1.0 111.529 -179.03 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -51.93 -22.08 13.46 Favored 'Trans proline' 0 C--N 1.352 0.723 0 C-N-CA 125.077 3.852 . . . . 1.0 117.621 -174.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -54.48 -29.31 49.63 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 115.291 1.589 . . . . 1.0 115.291 -173.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -70.62 -20.98 62.69 Favored 'General case' 0 CA--C 1.549 0.913 0 N-CA-C 114.637 1.347 . . . . 1.0 114.637 178.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -132.88 -5.9 3.14 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 125.607 1.563 . . . . 1.0 113.355 -174.185 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 3.1 mt -54.87 131.25 43.85 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.042 1.337 . . . . 1.0 110.163 169.436 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 76.1 mt -69.84 119.17 15.41 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 N-CA-C 108.199 -1.038 . . . . 1.0 108.199 172.046 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -143.02 150.57 53.31 Favored Pre-proline 0 CA--C 1.547 0.829 0 C-N-CA 125.531 1.532 . . . . 1.0 111.013 -169.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -68.93 135.6 32.91 Favored 'Trans proline' 0 CA--C 1.536 0.611 0 C-N-CA 122.606 2.204 . . . . 1.0 112.18 -175.048 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -63.33 -31.28 72.39 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.029 0.932 . . . . 1.0 113.439 173.084 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -66.16 151.65 95.26 Favored Pre-proline 0 CA--C 1.552 1.021 0 C-N-CA 125.736 1.614 . . . . 1.0 112.33 179.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -67.5 154.98 72.12 Favored 'Trans proline' 0 CA--C 1.538 0.72 0 C-N-CA 123.452 2.768 . . . . 1.0 112.607 175.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -65.48 165.67 11.7 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 124.337 1.055 . . . . 1.0 113.039 174.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 7.3 tp -79.33 51.94 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 CA-C-O 124.138 1.923 . . . . 1.0 112.306 176.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 42.4 tp -68.98 -23.42 64.11 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 126.53 1.932 . . . . 1.0 113.292 177.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 . . . . . 0 C--O 1.254 1.34 0 C-N-CA 126.116 1.767 . . . . 1.0 114.668 179.196 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 24.2 mmt . . . . . 0 N--CA 1.496 1.843 0 CA-C-O 119.839 -0.124 . . . . 1.0 110.667 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 19.4 m -133.11 11.35 4.22 Favored 'General case' 0 N--CA 1.483 1.186 0 N-CA-C 114.244 1.201 . . . . 1.0 114.244 -169.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 13.1 t -145.7 162.37 37.73 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.201 1.4 . . . . 1.0 112.112 177.032 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 16.8 m -140.91 154.59 68.69 Favored Pre-proline 0 N--CA 1.479 1.001 0 C-N-CA 126.174 1.79 . . . . 1.0 111.819 -177.02 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -68.17 162.03 41.97 Favored 'Trans proline' 0 CA--C 1.538 0.724 0 C-N-CA 122.67 2.246 . . . . 1.0 112.297 171.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 58.1 mtpt -111.53 -25.21 9.69 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 125.74 1.616 . . . . 1.0 112.683 172.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.419 ' CD2' HD11 ' A' ' 96' ' ' LEU . 11.7 m-85 -142.55 144.98 33.15 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.601 0.76 . . . . 1.0 111.23 -172.203 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 70.6 ttp85 -143.34 113.02 6.99 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 126.394 1.878 . . . . 1.0 110.251 174.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -64.49 108.79 2.15 Favored Pre-proline 0 CA--C 1.546 0.822 0 C-N-CA 125.799 1.639 . . . . 1.0 112.494 179.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -57.6 -26.99 75.07 Favored 'Trans proline' 0 CA--C 1.539 0.742 0 C-N-CA 122.739 2.293 . . . . 1.0 114.434 179.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -76.17 -19.11 58.74 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 114.431 1.271 . . . . 1.0 114.431 -176.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 68.9 p -141.16 -23.24 0.75 Allowed 'General case' 0 N--CA 1.483 1.22 0 N-CA-C 115.559 1.689 . . . . 1.0 115.559 -174.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 86.2 0.86 86.74 Favored Glycine 0 CA--C 1.538 1.512 0 C-N-CA 124.23 0.919 . . . . 1.0 114.648 -171.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -59.09 149.03 28.98 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 119.057 1.428 . . . . 1.0 111.466 172.197 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 27.0 p -133.78 157.99 44.49 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 124.261 1.024 . . . . 1.0 113.217 -174.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 23.5 t90 -152.63 162.94 40.56 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.595 1.158 . . . . 1.0 111.561 176.18 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 91.9 p -141.38 0.58 1.51 Allowed 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 115.948 1.833 . . . . 1.0 115.948 -169.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 107.84 -19.18 33.47 Favored Glycine 0 CA--C 1.539 1.546 0 C-N-CA 124.425 1.012 . . . . 1.0 114.529 -178.191 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -69.95 135.09 49.07 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 124.767 1.227 . . . . 1.0 111.349 177.1 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 65.79 -165.91 36.66 Favored Glycine 0 CA--C 1.539 1.544 0 C-N-CA 123.689 0.662 . . . . 1.0 114.295 -179.253 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -64.51 148.36 50.85 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.1 0.96 . . . . 1.0 112.283 177.202 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -62.22 135.17 94.93 Favored Pre-proline 0 CA--C 1.552 1.023 0 C-N-CA 124.327 1.051 . . . . 1.0 111.614 175.1 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -57.42 152.8 44.68 Favored 'Trans proline' 0 C--N 1.353 0.764 0 C-N-CA 123.469 2.779 . . . . 1.0 113.541 169.402 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.52 -37.76 80.3 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 113.079 0.77 . . . . 1.0 113.079 179.068 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 40.6 p-90 -61.04 -29.49 69.76 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 113.659 0.985 . . . . 1.0 113.659 178.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.419 HD11 ' CD2' ' A' ' 77' ' ' TYR . 4.4 tp -68.03 -17.54 64.44 Favored 'General case' 0 CA--C 1.549 0.915 0 N-CA-C 114.215 1.191 . . . . 1.0 114.215 -178.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -53.24 -41.58 61.93 Favored Glycine 0 CA--C 1.534 1.281 0 C-N-CA 125.737 1.636 . . . . 1.0 117.119 -169.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -62.25 -54.86 34.7 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 113.695 0.998 . . . . 1.0 113.695 -171.136 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -169.07 96.73 0.52 Allowed Pre-proline 0 CA--C 1.545 0.758 0 C-N-CA 125.22 1.408 . . . . 1.0 110.558 -176.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_exo -43.71 -33.26 4.67 Favored 'Trans proline' 0 C--N 1.354 0.819 0 C-N-CA 124.952 3.768 . . . . 1.0 116.593 -176.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -57.47 -23.39 49.62 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 114.987 1.477 . . . . 1.0 114.987 176.557 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.85 -21.21 64.29 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 114.077 1.14 . . . . 1.0 114.077 177.163 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -133.32 -11.94 2.8 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.991 1.316 . . . . 1.0 113.7 -173.743 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 4.2 mt -53.46 149.01 8.25 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 125.594 1.558 . . . . 1.0 113.184 174.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 49.1 mt -118.06 122.96 70.91 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 C-N-CA 125.723 1.609 . . . . 1.0 108.378 179.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -140.06 156.84 70.16 Favored Pre-proline 0 CA--C 1.548 0.879 0 C-N-CA 125.303 1.441 . . . . 1.0 110.848 178.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_exo -54.58 -15.13 8.45 Favored 'Trans proline' 0 C--N 1.355 0.918 0 C-N-CA 124.679 3.586 . . . . 1.0 117.568 -178.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -52.87 -25.14 10.73 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 125.964 1.705 . . . . 1.0 114.182 171.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 9.5 tt -140.18 123.33 10.27 Favored Pre-proline 0 CA--C 1.547 0.845 0 C-N-CA 126.208 1.803 . . . . 1.0 110.148 171.183 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -47.69 114.77 1.17 Allowed 'Trans proline' 0 CA--C 1.541 0.825 0 C-N-CA 124.652 3.568 . . . . 1.0 114.103 178.344 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -50.22 106.21 0.11 Allowed 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.351 1.46 . . . . 1.0 112.504 -174.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . 0.372 4.5 tt 34.63 49.99 0.2 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.79 0 C-N-CA 127.378 2.271 . . . . 1.0 115.265 -169.571 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 42.4 mt -137.8 6.23 2.67 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 127.392 2.277 . . . . 1.0 113.08 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 . . . . . 0 C--O 1.253 1.271 0 C-N-CA 126.397 1.879 . . . . 1.0 112.223 176.641 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 66.2 mtt . . . . . 0 N--CA 1.495 1.8 0 N-CA-C 110.614 -0.143 . . . . 1.0 110.614 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 78.8 p -150.81 168.94 22.91 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.26 1.424 . . . . 1.0 112.51 -179.454 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 44.6 p -138.38 165.69 26.15 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 125.69 1.596 . . . . 1.0 112.157 -177.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.9 p -145.26 145.37 26.37 Favored Pre-proline 0 N--CA 1.479 0.977 0 C-N-CA 124.989 1.316 . . . . 1.0 111.272 179.165 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -52.4 164.47 1.33 Allowed 'Trans proline' 0 CA--C 1.539 0.752 0 C-N-CA 124.246 3.298 . . . . 1.0 114.94 169.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -105.98 -24.56 12.38 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 126.229 1.812 . . . . 1.0 112.851 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.407 ' CD2' HD12 ' A' ' 104' ' ' LEU . 25.2 m-85 -142.47 146.84 35.18 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 124.695 1.198 . . . . 1.0 110.715 -174.425 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 53.0 ttt180 -144.87 114.4 7.17 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.639 0.776 . . . . 1.0 112.618 171.426 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -56.66 118.13 21.06 Favored Pre-proline 0 CA--C 1.552 1.023 0 C-N-CA 126.106 1.762 . . . . 1.0 112.009 178.114 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -72.32 -21.08 23.57 Favored 'Trans proline' 0 CA--C 1.541 0.83 0 C-N-CA 122.638 2.225 . . . . 1.0 113.853 -178.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.56 -38.39 65.22 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 113.541 0.941 . . . . 1.0 113.541 -176.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 51.7 p -135.38 -10.75 2.18 Favored 'General case' 0 N--CA 1.482 1.152 0 N-CA-C 114.924 1.453 . . . . 1.0 114.924 -173.503 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 93.91 1.96 65.01 Favored Glycine 0 CA--C 1.537 1.413 0 CA-C-O 118.619 -1.101 . . . . 1.0 115.52 173.225 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 47.6 mttp -59.19 149.03 29.44 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 125.424 1.49 . . . . 1.0 112.23 178.521 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 24.5 p -125.15 155.93 39.16 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 124.755 1.222 . . . . 1.0 113.43 -176.477 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 22.2 t90 -150.03 164.16 36.24 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.735 1.214 . . . . 1.0 111.032 171.142 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 89.8 p -135.01 8.24 3.48 Favored 'General case' 0 N--CA 1.482 1.143 0 N-CA-C 117.249 2.314 . . . . 1.0 117.249 -168.666 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 87.01 18.57 57.65 Favored Glycine 0 CA--C 1.534 1.253 0 O-C-N 121.161 -0.962 . . . . 1.0 114.781 178.338 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? -129.55 145.44 51.47 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 126.441 1.896 . . . . 1.0 110.66 179.623 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 66.31 -167.86 35.36 Favored Glycine 0 CA--C 1.538 1.519 0 C-N-CA 123.171 0.415 . . . . 1.0 112.864 -169.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 93.7 mtm-85 -67.14 139.47 57.49 Favored 'General case' 0 N--CA 1.478 0.934 0 O-C-N 121.772 -0.84 . . . . 1.0 111.36 173.215 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -62.58 152.18 81.66 Favored Pre-proline 0 CA--C 1.547 0.851 0 N-CA-C 112.961 0.726 . . . . 1.0 112.961 173.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -76.19 160.33 36.3 Favored 'Trans proline' 0 CA--C 1.542 0.876 0 C-N-CA 122.978 2.452 . . . . 1.0 112.104 172.519 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.84 -37.23 81.34 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 113.857 1.058 . . . . 1.0 113.857 -176.294 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 60.0 p-90 -65.66 -16.54 63.84 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 114.223 1.194 . . . . 1.0 114.223 178.181 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.1 tp -68.33 -21.87 64.72 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 113.394 0.887 . . . . 1.0 113.394 176.521 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -78.07 48.38 3.03 Favored Glycine 0 CA--C 1.535 1.289 0 C-N-CA 126.383 1.944 . . . . 1.0 115.962 -169.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -143.32 -58.39 0.41 Allowed 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 118.129 0.964 . . . . 1.0 112.302 174.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -157.39 94.56 2.15 Favored Pre-proline 0 CA--C 1.544 0.731 0 C-N-CA 124.57 1.148 . . . . 1.0 110.162 178.4 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.425 ' HA ' ' CZ ' ' A' ' 103' ' ' PHE . 80.3 Cg_exo -48.23 -23.53 4.86 Favored 'Trans proline' 0 CA--C 1.541 0.868 0 C-N-CA 124.674 3.582 . . . . 1.0 117.048 -177.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -80.18 -22.95 41.39 Favored 'General case' 0 CA--C 1.549 0.931 0 N-CA-C 114.61 1.337 . . . . 1.0 114.61 176.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -65.42 -23.31 66.91 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 115.013 1.486 . . . . 1.0 115.013 -169.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.425 ' CZ ' ' HA ' ' A' ' 100' ' ' PRO . 0.3 OUTLIER -132.09 11.75 4.66 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 126.947 2.099 . . . . 1.0 111.837 -174.879 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.407 HD12 ' CD2' ' A' ' 77' ' ' TYR . 8.4 tp -71.71 126.77 30.55 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.727 1.211 . . . . 1.0 110.737 -175.03 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 75.1 mt -69.32 129.57 33.83 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 N-CA-C 108.758 -0.831 . . . . 1.0 108.758 173.005 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -146.42 152.19 45.4 Favored Pre-proline 0 CA--C 1.541 0.629 0 C-N-CA 125.701 1.601 . . . . 1.0 111.03 -171.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -67.61 144.7 67.39 Favored 'Trans proline' 0 CA--C 1.537 0.658 0 C-N-CA 122.449 2.099 . . . . 1.0 112.31 -176.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -58.05 -22.15 48.76 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 125.628 1.571 . . . . 1.0 115.107 -178.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 83.9 mt -137.34 150.39 68.66 Favored Pre-proline 0 CA--C 1.547 0.856 0 C-N-CA 127.192 2.197 . . . . 1.0 110.796 176.648 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -68.33 153.12 74.94 Favored 'Trans proline' 0 CA--C 1.539 0.732 0 C-N-CA 123.253 2.635 . . . . 1.0 113.008 -178.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -67.46 165.35 16.86 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.379 1.072 . . . . 1.0 112.847 173.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 38.8 mt -83.02 62.84 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 125.742 1.617 . . . . 1.0 108.372 174.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 31.0 tp -135.32 -9.73 2.22 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 126.831 2.053 . . . . 1.0 113.509 -169.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 . . . . . 0 C--O 1.253 1.271 0 C-N-CA 126.158 1.783 . . . . 1.0 112.311 -179.953 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.754 0 N-CA-C 111.719 0.266 . . . . 1.0 111.719 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 49.2 m -141.93 162.41 35.53 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 125.22 1.408 . . . . 1.0 112.181 -175.286 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 14.0 t -143.44 165.66 26.92 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 125.146 1.378 . . . . 1.0 111.954 176.109 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 16.7 m -140.5 154.09 69.04 Favored Pre-proline 0 N--CA 1.478 0.941 0 C-N-CA 126.224 1.809 . . . . 1.0 111.89 -175.307 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -67.05 164.98 27.94 Favored 'Trans proline' 0 C--N 1.351 0.687 0 C-N-CA 123.155 2.57 . . . . 1.0 113.126 173.389 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 30.9 mtpp -115.48 -23.72 8.68 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 125.544 1.538 . . . . 1.0 113.144 178.222 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 31.6 m-85 -140.19 147.61 40.35 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.826 1.25 . . . . 1.0 110.505 -175.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 61.2 ttp180 -145.57 115.5 7.37 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.753 1.621 . . . . 1.0 111.037 176.182 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -64.21 120.06 61.33 Favored Pre-proline 0 CA--C 1.549 0.929 0 C-N-CA 124.98 1.312 . . . . 1.0 111.504 176.019 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -72.22 -21.23 23.71 Favored 'Trans proline' 0 CA--C 1.541 0.875 0 C-N-CA 122.55 2.166 . . . . 1.0 114.232 -175.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -80.53 -27.41 37.63 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 113.626 0.973 . . . . 1.0 113.626 -177.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 69.5 p -132.98 -17.32 2.43 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 115.126 1.528 . . . . 1.0 115.126 -171.339 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 81.44 3.53 90.62 Favored Glycine 0 CA--C 1.538 1.528 0 C-N-CA 124.352 0.977 . . . . 1.0 114.932 -177.132 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -58.84 149.51 26.55 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 125.058 1.343 . . . . 1.0 111.447 172.028 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 33.4 p -133.3 160.94 35.84 Favored 'General case' 0 N--CA 1.481 1.086 0 N-CA-C 113.627 0.973 . . . . 1.0 113.627 -175.241 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 19.7 t90 -146.43 161.31 40.68 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.645 1.178 . . . . 1.0 110.794 170.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.9 m -137.09 17.01 3.0 Favored 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 116.02 1.859 . . . . 1.0 116.02 -168.578 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 87.61 12.75 66.34 Favored Glycine 0 CA--C 1.538 1.531 0 N-CA-C 115.64 1.016 . . . . 1.0 115.64 175.344 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -137.97 148.43 45.21 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 125.484 1.514 . . . . 1.0 112.015 -174.597 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 71.33 -170.76 47.5 Favored Glycine 0 CA--C 1.537 1.441 0 C-N-CA 123.923 0.773 . . . . 1.0 114.128 -178.379 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 10.4 mpt_? -65.62 112.13 3.49 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.966 0.906 . . . . 1.0 110.401 175.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -59.98 128.52 87.16 Favored Pre-proline 0 CA--C 1.553 1.086 0 C-N-CA 124.737 1.215 . . . . 1.0 112.175 -179.045 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_exo -54.03 149.45 35.08 Favored 'Trans proline' 0 CA--C 1.542 0.925 0 C-N-CA 124.043 3.162 . . . . 1.0 114.764 172.518 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.65 -33.95 76.08 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 115.214 1.561 . . . . 1.0 115.214 -171.035 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 55.4 p-90 -60.81 -26.37 67.26 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 113.852 1.056 . . . . 1.0 113.852 -178.286 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.6 mp -67.95 -18.17 64.67 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 114.036 1.125 . . . . 1.0 114.036 178.246 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -77.12 45.0 2.21 Favored Glycine 0 CA--C 1.538 1.483 0 C-N-CA 125.392 1.472 . . . . 1.0 114.777 -179.242 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -137.52 -72.27 0.43 Allowed 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.749 1.219 . . . . 1.0 112.332 -175.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -158.05 83.04 2.8 Favored Pre-proline 0 CA--C 1.546 0.817 0 C-N-CA 124.74 1.216 . . . . 1.0 110.959 -177.083 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.546 ' HA ' ' CE1' ' A' ' 103' ' ' PHE . 58.9 Cg_exo -40.51 -41.19 3.5 Favored 'Trans proline' 0 C--N 1.353 0.789 0 C-N-CA 125.119 3.88 . . . . 1.0 117.481 -172.063 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.07 -20.38 65.9 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 114.853 1.427 . . . . 1.0 114.853 -178.125 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -70.66 -24.43 62.7 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 113.762 1.023 . . . . 1.0 113.762 177.214 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.546 ' CE1' ' HA ' ' A' ' 100' ' ' PRO . 6.3 p90 -133.71 -0.83 3.13 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 114.434 1.272 . . . . 1.0 114.434 -175.181 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 6.1 mt -59.17 134.61 57.15 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 120.488 -1.383 . . . . 1.0 108.974 168.454 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 91.7 mt -70.49 124.05 25.79 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 N-CA-C 108.46 -0.941 . . . . 1.0 108.46 172.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -137.4 153.0 74.26 Favored Pre-proline 0 CA--C 1.548 0.888 0 C-N-CA 125.633 1.573 . . . . 1.0 110.901 -169.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -79.15 -2.4 12.34 Favored 'Trans proline' 0 CA--C 1.544 0.985 0 C-N-CA 123.633 2.889 . . . . 1.0 114.776 -175.249 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 23.8 t70 48.74 31.34 3.02 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 126.254 1.822 . . . . 1.0 114.486 -170.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 73.4 mt -140.77 156.8 68.74 Favored Pre-proline 0 CA--C 1.547 0.832 0 C-N-CA 126.928 2.091 . . . . 1.0 111.231 -177.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -68.21 155.92 67.63 Favored 'Trans proline' 0 CA--C 1.54 0.776 0 C-N-CA 123.123 2.549 . . . . 1.0 112.677 175.006 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -148.2 168.11 23.32 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.366 1.466 . . . . 1.0 112.358 -177.446 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 35.8 mt -87.23 61.58 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 125.516 1.526 . . . . 1.0 108.925 -178.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 97.9 mt -127.82 4.69 6.02 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 126.929 2.091 . . . . 1.0 113.015 -174.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 . . . . . 0 C--O 1.253 1.275 0 C-N-CA 126.525 1.93 . . . . 1.0 112.24 179.929 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 60.2 ttm . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 110.699 -0.112 . . . . 1.0 110.699 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 80.0 p -150.41 168.86 22.89 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 125.054 1.342 . . . . 1.0 112.324 -179.587 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 14.8 t -143.89 165.69 27.02 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 124.981 1.312 . . . . 1.0 111.866 177.153 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 17.9 m -140.53 153.05 67.87 Favored Pre-proline 0 N--CA 1.48 1.068 0 C-N-CA 126.083 1.753 . . . . 1.0 111.626 -178.034 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -69.37 161.94 43.87 Favored 'Trans proline' 0 CA--C 1.539 0.76 0 C-N-CA 122.848 2.365 . . . . 1.0 112.168 173.019 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -128.65 -23.8 3.1 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 125.76 1.624 . . . . 1.0 113.037 178.087 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -138.97 145.98 40.39 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.615 1.166 . . . . 1.0 109.967 -174.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 55.8 ttt180 -145.65 119.78 9.48 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 124.735 1.214 . . . . 1.0 111.038 176.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -64.54 117.16 35.0 Favored Pre-proline 0 CA--C 1.547 0.856 0 C-N-CA 124.829 1.252 . . . . 1.0 111.504 175.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -70.46 -20.0 32.09 Favored 'Trans proline' 0 CA--C 1.543 0.956 0 C-N-CA 122.639 2.226 . . . . 1.0 113.715 -179.511 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -75.34 -31.27 60.52 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 113.504 0.927 . . . . 1.0 113.504 -177.451 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 58.5 p -131.03 -17.36 3.1 Favored 'General case' 0 N--CA 1.482 1.135 0 N-CA-C 114.702 1.371 . . . . 1.0 114.702 -175.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 89.04 -2.01 83.56 Favored Glycine 0 CA--C 1.536 1.398 0 C-N-CA 125.174 1.368 . . . . 1.0 114.98 -178.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 59.5 mtpt -63.34 148.77 47.45 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 125.318 1.447 . . . . 1.0 112.415 178.678 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 24.0 p -122.32 159.61 27.06 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 125.053 1.341 . . . . 1.0 113.503 -171.481 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 30.9 t90 -150.71 164.17 36.78 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.516 1.527 . . . . 1.0 110.707 174.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 93.3 p -135.55 21.61 3.37 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 115.976 1.843 . . . . 1.0 115.976 -168.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 81.63 16.33 73.52 Favored Glycine 0 N--CA 1.476 1.353 0 N-CA-C 115.569 0.988 . . . . 1.0 115.569 171.019 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 13.1 ptp180 -139.35 158.86 43.42 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 125.609 1.563 . . . . 1.0 112.945 -176.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 65.78 -167.8 33.34 Favored Glycine 0 CA--C 1.541 1.681 0 C-N-CA 123.32 0.486 . . . . 1.0 112.838 -170.004 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 59.4 ttp180 -59.74 134.92 57.48 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.85 0.86 . . . . 1.0 111.6 176.034 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -61.41 135.49 93.85 Favored Pre-proline 0 CA--C 1.549 0.907 0 C-N-CA 124.394 1.078 . . . . 1.0 111.439 179.024 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 70.3 Cg_endo -71.74 141.27 37.21 Favored 'Trans proline' 0 CA--C 1.538 0.694 0 C-N-CA 122.675 2.25 . . . . 1.0 111.707 175.269 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.76 -32.39 70.54 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 114.042 1.127 . . . . 1.0 114.042 -173.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 34.8 p-90 -66.2 -17.31 64.65 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 114.71 1.374 . . . . 1.0 114.71 177.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 6.2 tp -66.52 -19.81 65.87 Favored 'General case' 0 CA--C 1.549 0.918 0 CA-C-N 119.564 1.075 . . . . 1.0 113.719 178.433 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 50.9 -120.58 9.3 Favored Glycine 0 CA--C 1.536 1.348 0 C-N-CA 124.859 1.219 . . . . 1.0 113.803 175.517 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 -129.98 9.93 5.39 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 125.001 1.32 . . . . 1.0 113.795 -176.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -148.4 78.88 9.14 Favored Pre-proline 0 CA--C 1.549 0.915 0 C-N-CA 124.264 1.026 . . . . 1.0 112.127 -178.412 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_exo -47.89 -29.75 12.24 Favored 'Trans proline' 0 C--N 1.354 0.832 0 C-N-CA 125.036 3.824 . . . . 1.0 116.505 -177.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -57.14 -23.73 49.32 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 114.773 1.397 . . . . 1.0 114.773 -177.444 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -70.28 -20.92 63.0 Favored 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 114.517 1.302 . . . . 1.0 114.517 177.063 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -136.37 -5.91 2.03 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 125.394 1.478 . . . . 1.0 113.788 -174.729 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 4.4 mt -55.49 132.04 47.52 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 120.597 -1.315 . . . . 1.0 109.876 169.145 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 87.9 mt -69.38 119.91 16.09 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.689 0 N-CA-C 109.007 -0.738 . . . . 1.0 109.007 175.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -139.78 156.53 70.85 Favored Pre-proline 0 CA--C 1.549 0.933 0 C-N-CA 126.094 1.758 . . . . 1.0 110.437 -169.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -53.63 -13.97 4.55 Favored 'Trans proline' 0 C--N 1.355 0.913 0 C-N-CA 124.821 3.681 . . . . 1.0 117.975 -179.523 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -58.57 -16.93 17.85 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 125.583 1.553 . . . . 1.0 113.363 169.276 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 96.0 mt -131.99 157.35 78.46 Favored Pre-proline 0 CA--C 1.549 0.918 0 C-N-CA 128.883 2.873 . . . . 1.0 109.974 176.496 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -62.61 125.15 15.51 Favored 'Trans proline' 0 CA--C 1.541 0.849 0 C-N-CA 122.869 2.379 . . . . 1.0 111.068 175.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -146.85 171.22 15.53 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.008 1.323 . . . . 1.0 112.777 -173.396 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 7.7 tp -79.64 50.87 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 126.499 1.92 . . . . 1.0 112.521 177.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 35.8 tp -70.13 -19.91 63.19 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 126.51 1.924 . . . . 1.0 113.108 176.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 . . . . . 0 C--O 1.253 1.256 0 C-N-CA 126.498 1.919 . . . . 1.0 114.684 179.836 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 98.6 mmm . . . . . 0 N--CA 1.498 1.945 0 CA-C-O 120.415 0.15 . . . . 1.0 110.848 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.6 t -150.99 167.17 28.44 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.13 1.372 . . . . 1.0 111.87 177.29 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 14.4 t -147.28 165.87 28.81 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 125.543 1.537 . . . . 1.0 112.028 179.544 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 18.7 m -140.34 156.2 69.85 Favored Pre-proline 0 N--CA 1.479 0.999 0 C-N-CA 125.964 1.705 . . . . 1.0 111.858 -177.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -53.53 161.17 4.38 Favored 'Trans proline' 0 C--N 1.352 0.753 0 C-N-CA 123.723 2.949 . . . . 1.0 115.26 171.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -109.95 -24.06 11.01 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 126.629 1.971 . . . . 1.0 112.212 175.2 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.407 ' CE2' ' HG ' ' A' ' 104' ' ' LEU . 81.5 m-85 -138.11 150.94 47.32 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 125.314 1.446 . . . . 1.0 112.199 -177.554 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 60.8 ttp180 -143.41 116.36 8.84 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 126.287 1.835 . . . . 1.0 110.056 169.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -64.09 117.77 39.64 Favored Pre-proline 0 CA--C 1.548 0.899 0 C-N-CA 125.246 1.418 . . . . 1.0 111.061 174.672 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -70.92 -20.34 29.49 Favored 'Trans proline' 0 CA--C 1.542 0.88 0 C-N-CA 122.471 2.114 . . . . 1.0 113.674 -177.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -75.92 -32.01 59.39 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 113.652 0.982 . . . . 1.0 113.652 -177.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 51.7 p -133.21 -16.15 2.47 Favored 'General case' 0 N--CA 1.482 1.153 0 N-CA-C 115.063 1.505 . . . . 1.0 115.063 -173.122 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 86.5 1.66 85.59 Favored Glycine 0 CA--C 1.538 1.479 0 C-N-CA 124.508 1.051 . . . . 1.0 115.024 -178.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -59.17 149.33 28.49 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 125.242 1.417 . . . . 1.0 111.761 173.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 33.8 p -132.27 158.68 41.21 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.391 1.076 . . . . 1.0 113.16 -174.399 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 34.1 t90 -152.24 162.93 40.41 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.947 1.299 . . . . 1.0 111.194 177.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.6 m -133.38 15.8 4.09 Favored 'General case' 0 N--CA 1.48 1.048 0 N-CA-C 116.065 1.876 . . . . 1.0 116.065 -168.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 89.26 14.0 60.98 Favored Glycine 0 CA--C 1.538 1.504 0 N-CA-C 115.807 1.083 . . . . 1.0 115.807 172.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -135.03 151.9 51.22 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 125.233 1.413 . . . . 1.0 111.979 -177.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 70.01 -168.85 46.83 Favored Glycine 0 CA--C 1.54 1.64 0 C-N-CA 123.576 0.608 . . . . 1.0 113.143 -171.29 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 40.7 mmt180 -60.36 132.29 53.45 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.088 0.955 . . . . 1.0 111.596 177.008 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -66.91 134.58 94.02 Favored Pre-proline 0 CA--C 1.555 1.139 0 C-N-CA 123.917 0.887 . . . . 1.0 111.627 -179.505 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_exo -54.8 147.1 52.33 Favored 'Trans proline' 0 CA--C 1.541 0.849 0 C-N-CA 124.065 3.176 . . . . 1.0 114.944 175.197 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.83 -36.49 84.49 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 114.103 1.149 . . . . 1.0 114.103 -176.26 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 15.1 p-90 -64.76 -31.35 72.53 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.201 1.001 . . . . 1.0 113.188 176.252 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.1 tt -74.19 -31.73 62.77 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.812 1.245 . . . . 1.0 113.016 -170.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -70.36 47.29 0.69 Allowed Glycine 0 CA--C 1.539 1.574 0 C-N-CA 126.68 2.086 . . . . 1.0 117.53 -169.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 22.5 t30 -145.26 -49.92 0.24 Allowed 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.797 1.239 . . . . 1.0 112.9 174.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 16.4 p-10 -157.83 80.29 3.21 Favored Pre-proline 0 CA--C 1.553 1.075 0 C-N-CA 124.42 1.088 . . . . 1.0 112.606 -173.545 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -39.78 -38.61 1.86 Allowed 'Trans proline' 0 C--N 1.358 1.057 1 C-N-CA 126.307 4.671 . . . . 1.0 117.596 -175.07 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -58.56 -22.47 55.84 Favored 'General case' 0 CA--C 1.549 0.93 0 N-CA-C 114.715 1.376 . . . . 1.0 114.715 -179.271 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.6 -21.17 64.52 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 114.411 1.263 . . . . 1.0 114.411 176.57 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -138.47 -7.99 1.49 Allowed 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 114.426 1.269 . . . . 1.0 114.426 -172.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.407 ' HG ' ' CE2' ' A' ' 77' ' ' TYR . 7.0 mt -55.62 129.61 39.76 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 121.009 -1.057 . . . . 1.0 110.978 169.647 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 89.8 mt -75.23 131.67 34.6 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 N-CA-C 108.661 -0.866 . . . . 1.0 108.661 171.486 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 23.7 mm-40 -138.13 153.95 73.68 Favored Pre-proline 0 CA--C 1.552 1.039 0 C-N-CA 125.978 1.711 . . . . 1.0 110.18 -177.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -74.31 -21.71 17.23 Favored 'Trans proline' 0 CA--C 1.538 0.717 0 C-N-CA 122.759 2.306 . . . . 1.0 116.205 -169.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -166.8 -43.46 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 125.443 1.497 . . . . 1.0 113.297 175.593 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 22.6 tp -143.6 139.27 16.13 Favored Pre-proline 0 CA--C 1.549 0.942 0 C-N-CA 126.713 2.005 . . . . 1.0 109.73 178.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -52.58 138.51 58.0 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 123.14 2.56 . . . . 1.0 115.154 179.099 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -75.43 39.82 0.16 Allowed 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 125.92 1.688 . . . . 1.0 113.076 171.205 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 22.9 mt -138.88 66.26 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 127.653 2.381 . . . . 1.0 107.436 -172.001 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 20.3 tp -138.15 2.16 2.3 Favored 'General case' 0 CA--C 1.55 0.981 0 C-N-CA 124.992 1.317 . . . . 1.0 113.862 -169.459 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 . . . . . 0 C--O 1.252 1.223 0 C-N-CA 126.05 1.74 . . . . 1.0 112.214 -178.991 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 59.2 tpp . . . . . 0 N--CA 1.494 1.73 0 N-CA-C 110.344 -0.243 . . . . 1.0 110.344 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 50.5 m -142.59 158.85 43.24 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 125.069 1.347 . . . . 1.0 111.985 -174.289 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 45.6 p -138.77 163.94 30.89 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.351 1.461 . . . . 1.0 112.016 -178.385 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 16.1 m -140.49 154.81 69.79 Favored Pre-proline 0 N--CA 1.482 1.136 0 C-N-CA 125.776 1.63 . . . . 1.0 111.543 -178.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -68.89 163.97 35.38 Favored 'Trans proline' 0 CA--C 1.539 0.75 0 C-N-CA 122.85 2.367 . . . . 1.0 112.61 171.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 52.3 mtpt -119.86 -20.66 7.48 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 126.199 1.8 . . . . 1.0 112.92 174.067 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -141.01 143.05 34.2 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.055 0.942 . . . . 1.0 109.909 -174.122 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 53.0 ttt180 -145.77 119.09 8.95 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.427 1.091 . . . . 1.0 111.411 175.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -64.48 117.86 41.75 Favored Pre-proline 0 CA--C 1.546 0.814 0 C-N-CA 124.862 1.265 . . . . 1.0 111.486 174.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_endo -72.63 -19.87 23.93 Favored 'Trans proline' 0 CA--C 1.539 0.774 0 C-N-CA 122.505 2.137 . . . . 1.0 113.753 -178.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -75.08 -29.38 60.65 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.027 0.931 . . . . 1.0 113.481 -177.45 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 68.3 p -131.91 -20.53 2.5 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.979 1.312 . . . . 1.0 114.51 -175.157 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 91.78 -2.91 77.34 Favored Glycine 0 CA--C 1.537 1.461 0 C-N-CA 125.006 1.289 . . . . 1.0 115.03 -178.304 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 58.3 mtmt -61.35 148.77 40.32 Favored 'General case' 0 N--CA 1.482 1.135 0 CA-C-N 119.093 1.447 . . . . 1.0 112.495 178.504 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 23.5 p -126.7 158.14 37.23 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 125.184 1.394 . . . . 1.0 113.571 -170.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 28.7 t90 -150.59 164.38 36.17 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.307 1.443 . . . . 1.0 111.11 173.209 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 95.0 p -140.5 3.55 1.91 Allowed 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 116.604 2.075 . . . . 1.0 116.604 -169.26 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 106.73 -15.59 41.01 Favored Glycine 0 CA--C 1.537 1.456 0 CA-C-N 119.189 0.904 . . . . 1.0 114.679 -179.312 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 23.3 tpp180 -69.88 126.91 31.09 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 125.086 1.355 . . . . 1.0 111.358 177.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 70.78 -165.11 52.93 Favored Glycine 0 CA--C 1.539 1.58 0 C-N-CA 123.621 0.629 . . . . 1.0 113.888 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 83.2 mtm180 -66.87 155.37 38.56 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.869 0.868 . . . . 1.0 112.335 175.225 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 91.9 mt-30 -61.53 137.57 94.83 Favored Pre-proline 0 CA--C 1.551 1.011 0 C-N-CA 124.144 0.978 . . . . 1.0 111.864 177.13 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_exo -56.22 153.21 34.44 Favored 'Trans proline' 0 CA--C 1.536 0.585 0 C-N-CA 124.015 3.143 . . . . 1.0 114.032 171.606 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.71 -33.35 72.75 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 113.586 0.958 . . . . 1.0 113.586 177.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 47.8 p-90 -70.26 -25.1 63.2 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 113.878 1.066 . . . . 1.0 113.878 174.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 6.7 tp -72.97 -35.7 66.97 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 113.166 0.802 . . . . 1.0 113.166 -175.315 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 56.56 -154.62 16.37 Favored Glycine 0 CA--C 1.54 1.621 0 N-CA-C 115.072 0.789 . . . . 1.0 115.072 176.229 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -75.08 -17.0 60.54 Favored 'General case' 0 CA--C 1.55 0.971 0 N-CA-C 114.661 1.356 . . . . 1.0 114.661 -176.208 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -139.3 86.0 14.91 Favored Pre-proline 0 CA--C 1.55 0.964 0 C-N-CA 124.266 1.026 . . . . 1.0 112.919 -170.462 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -54.08 -17.09 10.51 Favored 'Trans proline' 0 CA--C 1.54 0.823 0 C-N-CA 125.0 3.8 . . . . 1.0 117.783 -179.278 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -55.95 -29.25 59.89 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 115.088 1.514 . . . . 1.0 115.088 -171.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.62 -19.41 63.63 Favored 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 114.714 1.375 . . . . 1.0 114.714 179.169 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -136.36 -2.89 2.2 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 125.369 1.468 . . . . 1.0 113.72 -173.518 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 3.0 mt -56.29 131.43 48.04 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.001 1.32 . . . . 1.0 111.296 169.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 80.2 mt -82.05 117.01 27.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 C-N-CA 124.213 1.005 . . . . 1.0 108.637 176.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -68.95 149.91 97.74 Favored Pre-proline 0 CA--C 1.55 0.954 0 C-N-CA 123.684 0.793 . . . . 1.0 111.993 178.482 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo -77.75 -12.93 16.37 Favored 'Trans proline' 0 CA--C 1.541 0.828 0 C-N-CA 123.105 2.537 . . . . 1.0 114.899 -177.423 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 23.8 t70 46.84 30.94 1.31 Allowed 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 126.836 2.054 . . . . 1.0 114.718 -173.539 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 15.6 tp -146.86 136.62 11.86 Favored Pre-proline 0 CA--C 1.549 0.937 0 C-N-CA 126.004 1.722 . . . . 1.0 110.185 -177.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -70.57 158.22 56.54 Favored 'Trans proline' 0 CA--C 1.537 0.655 0 C-N-CA 122.64 2.226 . . . . 1.0 112.537 177.335 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -104.32 30.47 5.27 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.137 1.375 . . . . 1.0 113.254 -178.573 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 18.7 pt -141.01 54.26 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 127.727 2.411 . . . . 1.0 110.097 -178.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 20.6 tp -130.62 1.24 4.46 Favored 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 125.828 1.651 . . . . 1.0 113.677 -169.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 . . . . . 0 C--O 1.253 1.261 0 C-N-CA 126.33 1.852 . . . . 1.0 112.327 -179.786 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 14.2 tpt . . . . . 0 N--CA 1.494 1.739 0 N-CA-C 110.7 -0.111 . . . . 1.0 110.7 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 27.1 m -62.35 156.0 23.6 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.897 1.279 . . . . 1.0 113.464 179.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 44.0 p -138.61 165.2 27.53 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 125.785 1.634 . . . . 1.0 111.899 179.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 17.0 m -140.18 154.36 69.99 Favored Pre-proline 0 N--CA 1.481 1.103 0 C-N-CA 125.455 1.502 . . . . 1.0 111.858 -178.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -65.9 164.14 28.28 Favored 'Trans proline' 0 C--N 1.351 0.672 0 C-N-CA 122.998 2.465 . . . . 1.0 113.699 174.342 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -102.88 -27.17 12.81 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 125.636 1.574 . . . . 1.0 113.112 177.389 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -142.29 149.14 39.13 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 119.36 0.982 . . . . 1.0 111.524 -175.077 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 52.2 ttt180 -144.93 115.21 7.54 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.899 0.88 . . . . 1.0 112.106 171.307 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -62.26 117.8 33.81 Favored Pre-proline 0 CA--C 1.548 0.879 0 C-N-CA 125.547 1.539 . . . . 1.0 112.163 179.448 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -71.22 -20.5 28.13 Favored 'Trans proline' 0 CA--C 1.541 0.826 0 C-N-CA 122.625 2.217 . . . . 1.0 113.887 -178.529 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -76.71 -31.9 57.49 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 113.636 0.976 . . . . 1.0 113.636 -177.277 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 49.6 p -133.09 -16.26 2.5 Favored 'General case' 0 N--CA 1.481 1.084 0 N-CA-C 115.054 1.501 . . . . 1.0 115.054 -174.096 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 90.69 -2.48 80.24 Favored Glycine 0 CA--C 1.536 1.39 0 C-N-CA 124.807 1.194 . . . . 1.0 115.226 179.483 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -58.72 149.25 26.76 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 125.898 1.679 . . . . 1.0 112.42 177.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 24.6 p -125.97 156.81 39.22 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 124.843 1.257 . . . . 1.0 113.04 -175.509 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 14.5 t90 -148.24 160.17 43.22 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.376 1.07 . . . . 1.0 111.553 171.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.1 m -138.72 16.01 2.7 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 116.101 1.889 . . . . 1.0 116.101 -168.431 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 83.07 19.8 62.15 Favored Glycine 0 CA--C 1.536 1.382 0 O-C-N 120.952 -1.092 . . . . 1.0 114.885 178.341 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -135.61 145.56 47.01 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 125.754 1.622 . . . . 1.0 111.592 -175.189 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 68.13 -170.95 36.7 Favored Glycine 0 CA--C 1.539 1.56 0 C-N-CA 123.843 0.735 . . . . 1.0 113.372 -173.638 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -59.54 134.06 56.67 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.943 0.897 . . . . 1.0 111.554 176.168 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -64.28 132.73 95.42 Favored Pre-proline 0 CA--C 1.549 0.923 0 C-N-CA 124.36 1.064 . . . . 1.0 111.023 178.229 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -75.11 153.8 41.53 Favored 'Trans proline' 0 CA--C 1.541 0.858 0 C-N-CA 122.572 2.181 . . . . 1.0 112.387 178.402 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.04 -34.62 76.58 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 114.51 1.3 . . . . 1.0 114.51 -172.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 64.2 p-90 -65.46 -21.45 66.64 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 113.732 1.012 . . . . 1.0 113.732 178.28 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.3 -21.75 63.84 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 114.26 1.207 . . . . 1.0 114.26 -178.413 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -63.99 -39.58 97.4 Favored Glycine 0 CA--C 1.53 0.973 0 N-CA-C 116.593 1.397 . . . . 1.0 116.593 -169.611 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -60.88 -51.31 69.84 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 113.467 0.914 . . . . 1.0 113.467 -170.116 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 50.6 t0 -164.94 90.2 0.99 Allowed Pre-proline 0 CA--C 1.548 0.867 0 C-N-CA 125.492 1.517 . . . . 1.0 109.342 177.253 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -57.66 -33.14 96.24 Favored 'Trans proline' 0 CA--C 1.538 0.679 0 C-N-CA 122.731 2.287 . . . . 1.0 114.544 -169.659 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -67.22 -20.02 65.63 Favored 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 114.471 1.286 . . . . 1.0 114.471 178.246 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -65.33 -27.49 68.64 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 114.049 1.129 . . . . 1.0 114.049 -176.206 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -132.72 17.51 4.28 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 126.058 1.743 . . . . 1.0 112.535 -175.263 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.8 tt -72.15 124.19 24.49 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.761 1.224 . . . . 1.0 109.554 170.027 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 64.2 mt -67.79 127.43 29.43 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.543 0 C-N-CA 125.371 1.468 . . . . 1.0 109.896 -178.287 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 -140.24 156.36 69.97 Favored Pre-proline 0 CA--C 1.547 0.865 0 C-N-CA 125.633 1.573 . . . . 1.0 111.106 -179.253 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -76.29 55.68 4.71 Favored 'Trans proline' 0 CA--C 1.551 1.354 0 C-N-CA 124.777 3.651 . . . . 1.0 113.146 -177.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -63.26 -19.76 64.85 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 125.464 1.506 . . . . 1.0 113.812 175.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -120.35 156.84 54.91 Favored Pre-proline 0 CA--C 1.551 0.992 0 C-N-CA 127.823 2.449 . . . . 1.0 109.871 171.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -47.32 132.78 19.53 Favored 'Trans proline' 0 C--N 1.354 0.835 0 C-N-CA 124.073 3.182 . . . . 1.0 114.738 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -150.4 173.82 13.59 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.545 1.538 . . . . 1.0 111.985 -174.601 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 8.1 tp -79.87 53.31 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 CA-C-O 124.019 1.866 . . . . 1.0 111.963 174.525 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -146.46 124.65 12.19 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 127.413 2.285 . . . . 1.0 109.684 -173.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 . . . . . 0 C--O 1.254 1.335 0 C-N-CA 125.928 1.691 . . . . 1.0 112.319 178.927 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.898 0 N-CA-C 111.404 0.15 . . . . 1.0 111.404 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 18.6 m -72.57 -23.54 60.98 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 114.375 1.25 . . . . 1.0 114.375 -175.199 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 13.8 t -146.35 166.52 26.09 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 125.502 1.521 . . . . 1.0 111.825 177.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 16.0 m -140.42 152.48 66.73 Favored Pre-proline 0 N--CA 1.479 0.993 0 C-N-CA 126.167 1.787 . . . . 1.0 111.616 -178.474 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -70.27 166.39 28.37 Favored 'Trans proline' 0 CA--C 1.54 0.805 0 C-N-CA 123.126 2.551 . . . . 1.0 113.113 175.38 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 58.2 tttp -125.38 -23.04 4.2 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 127.143 2.177 . . . . 1.0 112.226 175.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -139.41 148.46 42.83 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 125.389 1.476 . . . . 1.0 110.422 -176.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 60.3 ttp180 -144.85 116.17 8.01 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.858 1.663 . . . . 1.0 111.041 175.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -64.05 120.34 63.27 Favored Pre-proline 0 CA--C 1.549 0.928 0 C-N-CA 124.99 1.316 . . . . 1.0 111.518 176.38 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -71.81 -22.07 24.08 Favored 'Trans proline' 0 CA--C 1.542 0.896 0 C-N-CA 122.655 2.237 . . . . 1.0 114.246 -176.432 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -78.11 -28.29 48.54 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 113.827 1.047 . . . . 1.0 113.827 -177.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 68.8 p -132.56 -17.47 2.56 Favored 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 115.115 1.524 . . . . 1.0 115.115 -171.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 82.0 3.41 90.59 Favored Glycine 0 CA--C 1.54 1.594 0 C-N-CA 124.279 0.942 . . . . 1.0 114.759 -176.487 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -59.69 149.53 30.4 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-N 118.953 1.377 . . . . 1.0 111.391 173.014 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 33.2 p -132.55 158.83 41.16 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 124.219 1.008 . . . . 1.0 113.588 -174.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 23.2 t90 -147.94 165.55 30.35 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.151 1.38 . . . . 1.0 110.166 173.284 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 80.1 p -132.69 11.97 4.41 Favored 'General case' 0 N--CA 1.482 1.158 0 N-CA-C 117.242 2.312 . . . . 1.0 117.242 -168.444 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 89.78 8.56 67.28 Favored Glycine 0 CA--C 1.537 1.442 0 O-C-N 121.055 -1.028 . . . . 1.0 115.301 173.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 20.0 ptp180 -136.67 154.73 50.54 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 125.548 1.539 . . . . 1.0 112.921 -179.131 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 66.78 -172.42 28.77 Favored Glycine 0 CA--C 1.54 1.645 0 C-N-CA 123.507 0.575 . . . . 1.0 113.497 -169.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 78.0 ttt-85 -64.18 124.38 21.51 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.918 0.887 . . . . 1.0 111.165 175.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -61.13 149.35 82.49 Favored Pre-proline 0 CA--C 1.549 0.938 0 N-CA-C 113.119 0.785 . . . . 1.0 113.119 176.272 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -75.8 160.85 37.15 Favored 'Trans proline' 0 CA--C 1.539 0.752 0 C-N-CA 123.186 2.591 . . . . 1.0 112.071 173.551 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.2 -37.77 78.26 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 114.095 1.146 . . . . 1.0 114.095 -173.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 63.0 p-90 -64.27 -20.93 66.39 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 113.923 1.083 . . . . 1.0 113.923 178.174 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.15 -19.86 64.02 Favored 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 113.485 0.92 . . . . 1.0 113.485 176.523 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -82.23 46.2 3.48 Favored Glycine 0 CA--C 1.537 1.418 0 C-N-CA 125.541 1.543 . . . . 1.0 115.346 -169.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 45.4 t30 -144.81 -67.03 0.32 Allowed 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 118.315 1.058 . . . . 1.0 113.29 178.198 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -155.75 87.6 3.08 Favored Pre-proline 0 CA--C 1.545 0.762 0 C-N-CA 124.044 0.938 . . . . 1.0 111.591 -173.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.56 ' HA ' ' CE1' ' A' ' 103' ' ' PHE . 70.4 Cg_exo -41.92 -39.91 5.69 Favored 'Trans proline' 0 C--N 1.352 0.713 0 C-N-CA 125.1 3.867 . . . . 1.0 116.988 -175.6 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.35 -21.52 66.32 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 114.694 1.368 . . . . 1.0 114.694 -178.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.8 -23.08 63.28 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 113.895 1.072 . . . . 1.0 113.895 177.655 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.56 ' CE1' ' HA ' ' A' ' 100' ' ' PRO . 4.6 p90 -136.83 -0.73 2.29 Favored 'General case' 0 N--CA 1.474 0.775 0 N-CA-C 114.536 1.31 . . . . 1.0 114.536 -174.214 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 5.8 mt -57.78 137.45 56.55 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 120.563 -1.336 . . . . 1.0 110.293 169.052 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.3 mt -69.29 119.4 15.14 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 N-CA-C 107.307 -1.368 . . . . 1.0 107.307 169.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -142.4 154.48 63.81 Favored Pre-proline 0 CA--C 1.543 0.688 0 C-N-CA 124.812 1.245 . . . . 1.0 113.158 -169.058 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -77.75 44.9 1.64 Allowed 'Trans proline' 0 CA--C 1.549 1.238 0 C-N-CA 124.935 3.757 . . . . 1.0 113.72 -179.118 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -54.74 -24.56 22.89 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 124.847 1.259 . . . . 1.0 113.418 169.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -121.6 145.84 43.9 Favored Pre-proline 0 CA--C 1.548 0.876 0 C-N-CA 128.148 2.579 . . . . 1.0 108.234 169.304 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -68.29 151.55 76.38 Favored 'Trans proline' 0 CA--C 1.539 0.767 0 C-N-CA 122.792 2.328 . . . . 1.0 113.51 -173.191 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -137.67 36.03 2.43 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.57 1.548 . . . . 1.0 111.632 174.271 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 20.2 pt -136.54 55.91 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 C-N-CA 126.737 2.015 . . . . 1.0 111.143 -172.319 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -144.42 125.69 14.71 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 126.323 1.849 . . . . 1.0 109.684 -173.461 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 . . . . . 0 C--O 1.256 1.435 0 C-N-CA 126.201 1.8 . . . . 1.0 112.671 -177.303 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 14.0 tpt . . . . . 0 N--CA 1.495 1.822 0 N-CA-C 110.764 -0.087 . . . . 1.0 110.764 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 61.9 p -65.03 -29.85 70.78 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 115.093 1.516 . . . . 1.0 115.093 -175.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 43.9 p -140.25 165.88 26.19 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 125.821 1.648 . . . . 1.0 112.284 177.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 18.0 m -140.26 156.63 69.84 Favored Pre-proline 0 N--CA 1.48 1.031 0 C-N-CA 125.571 1.549 . . . . 1.0 111.04 176.636 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -51.1 153.45 9.11 Favored 'Trans proline' 0 CA--C 1.543 0.947 0 C-N-CA 123.617 2.878 . . . . 1.0 114.919 173.201 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -126.08 -32.58 2.74 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 126.222 1.809 . . . . 1.0 112.875 174.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -135.38 149.45 49.67 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.771 1.228 . . . . 1.0 110.953 -175.178 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 53.4 ttt180 -146.15 116.74 7.58 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.418 1.087 . . . . 1.0 111.892 173.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -64.03 119.97 59.96 Favored Pre-proline 0 CA--C 1.548 0.888 0 C-N-CA 125.5 1.52 . . . . 1.0 111.855 178.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -72.2 -22.29 22.49 Favored 'Trans proline' 0 CA--C 1.542 0.889 0 C-N-CA 122.696 2.264 . . . . 1.0 114.04 -178.108 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -75.53 -30.61 59.82 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 113.812 1.041 . . . . 1.0 113.812 -177.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 55.1 p -132.36 -16.29 2.75 Favored 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 114.812 1.412 . . . . 1.0 114.812 -173.491 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 88.09 -2.09 85.2 Favored Glycine 0 CA--C 1.537 1.441 0 C-N-CA 124.818 1.199 . . . . 1.0 115.022 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -59.8 148.79 33.24 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 125.597 1.559 . . . . 1.0 112.296 178.109 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 24.4 p -124.65 158.8 32.26 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 125.085 1.354 . . . . 1.0 113.125 -174.335 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 17.0 t90 -147.57 159.8 43.35 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.654 1.182 . . . . 1.0 111.495 170.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 78.0 p -136.79 8.81 3.05 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 117.003 2.224 . . . . 1.0 117.003 -168.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 98.34 7.6 55.8 Favored Glycine 0 CA--C 1.537 1.465 0 N-CA-C 115.968 1.147 . . . . 1.0 115.968 173.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -134.59 159.35 41.46 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 125.503 1.521 . . . . 1.0 112.352 -178.427 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 71.42 -171.99 45.8 Favored Glycine 0 CA--C 1.538 1.53 0 C-N-CA 123.613 0.625 . . . . 1.0 113.046 -171.093 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 94.5 mtt-85 -62.59 143.66 57.02 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.728 0.811 . . . . 1.0 111.555 175.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -63.52 132.45 95.17 Favored Pre-proline 0 CA--C 1.548 0.899 0 C-N-CA 123.843 0.857 . . . . 1.0 111.59 179.027 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_exo -60.44 149.67 85.09 Favored 'Trans proline' 0 C--N 1.351 0.671 0 C-N-CA 122.686 2.257 . . . . 1.0 112.402 169.474 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.71 -42.84 94.99 Favored 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 112.74 0.644 . . . . 1.0 112.74 177.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 65.5 p-90 -61.38 -24.45 66.5 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 113.61 0.967 . . . . 1.0 113.61 176.302 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.05 -19.0 65.78 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 113.735 1.013 . . . . 1.0 113.735 177.099 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -70.48 -33.53 67.84 Favored Glycine 0 CA--C 1.531 1.044 0 C-N-CA 124.457 1.027 . . . . 1.0 115.329 -175.037 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -61.48 -58.14 9.36 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.704 1.202 . . . . 1.0 113.454 -170.288 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 38.4 t0 -165.11 89.69 0.97 Allowed Pre-proline 0 CA--C 1.548 0.88 0 C-N-CA 124.957 1.303 . . . . 1.0 110.957 179.305 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.43 ' HA ' ' CE1' ' A' ' 103' ' ' PHE . 87.0 Cg_exo -43.09 -36.39 5.66 Favored 'Trans proline' 0 CA--C 1.54 0.798 0 C-N-CA 124.778 3.652 . . . . 1.0 117.156 -176.313 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.93 -25.18 66.23 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 114.658 1.355 . . . . 1.0 114.658 178.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.9 -24.23 63.36 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 114.353 1.242 . . . . 1.0 114.353 -174.447 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.43 ' CE1' ' HA ' ' A' ' 100' ' ' PRO . 2.2 p90 -133.04 12.77 4.29 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.091 1.356 . . . . 1.0 113.944 -172.172 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 7.1 mt -64.13 132.37 50.26 Favored 'General case' 0 N--CA 1.472 0.675 0 O-C-N 120.787 -1.195 . . . . 1.0 109.47 169.052 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 78.0 mt -68.08 113.62 4.11 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 C-N-CA 123.821 0.848 . . . . 1.0 108.939 176.079 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 89.0 mm-40 -71.45 151.7 94.0 Favored Pre-proline 0 CA--C 1.551 0.991 0 C-N-CA 123.813 0.845 . . . . 1.0 112.679 -171.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_endo -80.72 -1.79 11.47 Favored 'Trans proline' 0 CA--C 1.545 1.074 0 C-N-CA 123.712 2.942 . . . . 1.0 114.908 -178.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 24.5 t70 49.79 34.04 7.08 Favored 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 126.082 1.753 . . . . 1.0 113.818 -170.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 71.0 mt -140.53 155.89 69.58 Favored Pre-proline 0 CA--C 1.547 0.863 0 C-N-CA 127.047 2.139 . . . . 1.0 110.899 -178.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -68.72 157.5 61.59 Favored 'Trans proline' 0 CA--C 1.538 0.722 0 C-N-CA 123.058 2.505 . . . . 1.0 112.854 176.044 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -144.77 157.78 44.04 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.74 1.616 . . . . 1.0 111.391 177.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . 0.302 7.1 tp 31.09 57.16 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 C-N-CA 127.511 2.324 . . . . 1.0 114.368 -173.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 31.3 tp -75.09 -21.19 59.09 Favored 'General case' 0 CA--C 1.548 0.89 0 CA-C-N 113.723 -1.581 . . . . 1.0 113.367 -175.186 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 . . . . . 0 C--O 1.255 1.394 0 C-N-CA 126.356 1.862 . . . . 1.0 114.355 179.266 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.495 1.81 0 N-CA-C 110.35 -0.241 . . . . 1.0 110.35 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 17.2 m -62.46 -18.16 61.14 Favored 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 116.447 2.017 . . . . 1.0 116.447 -171.346 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 15.1 t -141.38 166.16 25.52 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.858 1.263 . . . . 1.0 112.599 175.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 23.1 m -67.4 154.51 92.86 Favored Pre-proline 0 CA--C 1.546 0.816 0 C-N-CA 125.524 1.529 . . . . 1.0 112.734 179.58 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_endo -68.36 163.8 35.05 Favored 'Trans proline' 0 CA--C 1.539 0.756 0 C-N-CA 122.623 2.215 . . . . 1.0 112.192 170.013 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 64.9 mttm -120.14 -27.92 5.2 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 126.213 1.805 . . . . 1.0 113.036 176.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -138.0 145.43 41.89 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 123.899 0.879 . . . . 1.0 110.791 -173.117 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 66.4 ttt-85 -143.75 115.23 8.08 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.748 1.219 . . . . 1.0 111.701 174.587 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -63.96 118.49 46.29 Favored Pre-proline 0 CA--C 1.549 0.941 0 C-N-CA 125.237 1.415 . . . . 1.0 111.58 177.215 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_endo -71.02 -21.35 27.77 Favored 'Trans proline' 0 CA--C 1.541 0.837 0 C-N-CA 122.572 2.181 . . . . 1.0 114.029 -179.116 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -75.46 -31.21 60.19 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 113.7 1.0 . . . . 1.0 113.7 -177.392 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 63.4 p -133.33 -16.25 2.43 Favored 'General case' 0 N--CA 1.481 1.099 0 N-CA-C 114.876 1.436 . . . . 1.0 114.876 -173.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 87.19 0.23 85.27 Favored Glycine 0 CA--C 1.537 1.435 0 C-N-CA 124.492 1.044 . . . . 1.0 115.177 -178.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -58.88 149.21 27.55 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 125.338 1.455 . . . . 1.0 112.188 175.345 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 31.2 p -130.94 158.61 39.77 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.503 1.121 . . . . 1.0 113.564 -174.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . 0.401 ' CH2' ' HA2' ' A' ' 88' ' ' GLY . 21.4 t90 -148.31 164.24 34.64 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.964 1.306 . . . . 1.0 110.795 173.209 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 85.0 p -136.62 12.22 3.19 Favored 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 116.65 2.093 . . . . 1.0 116.65 -168.646 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.401 ' HA2' ' CH2' ' A' ' 86' ' ' TRP . . . 81.83 24.4 55.68 Favored Glycine 0 N--CA 1.475 1.239 0 O-C-N 120.912 -1.117 . . . . 1.0 114.261 178.493 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -127.29 139.67 52.73 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 126.315 1.846 . . . . 1.0 110.434 -178.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 66.81 -165.52 41.34 Favored Glycine 0 CA--C 1.538 1.521 0 C-N-CA 123.138 0.399 . . . . 1.0 112.657 -169.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 28.6 mmt85 -69.91 148.26 49.22 Favored 'General case' 0 N--CA 1.48 1.055 0 O-C-N 121.733 -0.863 . . . . 1.0 111.227 170.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -60.89 152.05 71.24 Favored Pre-proline 0 CA--C 1.549 0.931 0 N-CA-C 112.953 0.723 . . . . 1.0 112.953 174.723 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -74.33 161.37 40.48 Favored 'Trans proline' 0 CA--C 1.542 0.905 0 C-N-CA 122.749 2.299 . . . . 1.0 111.827 170.352 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.54 -33.77 73.16 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 114.206 1.187 . . . . 1.0 114.206 -176.052 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 61.6 p-90 -69.51 -16.12 63.38 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 114.136 1.161 . . . . 1.0 114.136 177.482 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.6 tp -69.19 -19.3 63.98 Favored 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 114.4 1.259 . . . . 1.0 114.4 -176.089 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 52.48 -135.92 36.65 Favored Glycine 0 CA--C 1.537 1.453 0 C-N-CA 124.461 1.029 . . . . 1.0 113.999 177.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 31.5 p-10 -128.21 9.76 6.23 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 125.575 1.55 . . . . 1.0 114.072 179.616 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -147.67 78.9 9.71 Favored Pre-proline 0 CA--C 1.55 0.95 0 C-N-CA 125.269 1.428 . . . . 1.0 110.578 177.039 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_exo -62.88 -8.41 13.63 Favored 'Trans proline' 0 CA--C 1.539 0.761 0 C-N-CA 123.679 2.919 . . . . 1.0 118.376 -169.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -59.0 -23.29 61.76 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 114.867 1.432 . . . . 1.0 114.867 -173.15 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.16 -25.09 68.19 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 114.327 1.232 . . . . 1.0 114.327 175.552 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -136.98 5.3 2.81 Favored 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 114.561 1.319 . . . . 1.0 114.561 -174.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 5.5 mt -59.27 123.55 17.07 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 120.833 -1.167 . . . . 1.0 110.422 169.4 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 74.7 mt -67.44 127.82 29.68 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 C-N-CA 124.048 0.939 . . . . 1.0 109.185 177.009 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -147.14 148.82 33.31 Favored Pre-proline 0 CA--C 1.545 0.771 0 C-N-CA 125.389 1.476 . . . . 1.0 110.925 -174.021 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -72.12 140.47 34.4 Favored 'Trans proline' 0 CA--C 1.54 0.795 0 C-N-CA 122.418 2.078 . . . . 1.0 112.379 -174.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -65.94 -19.15 65.77 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.186 1.394 . . . . 1.0 114.641 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 86.6 mt -139.91 159.67 63.69 Favored Pre-proline 0 CA--C 1.548 0.882 0 C-N-CA 127.53 2.332 . . . . 1.0 111.257 -176.215 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -73.9 70.82 4.31 Favored 'Trans proline' 0 CA--C 1.54 0.783 0 C-N-CA 124.462 3.441 . . . . 1.0 112.657 176.416 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -52.55 115.48 1.8 Allowed 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.839 1.656 . . . . 1.0 111.299 179.042 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . 0.336 6.9 tp 34.85 49.47 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 127.433 2.293 . . . . 1.0 115.096 -169.631 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 68.7 mt -135.86 8.07 3.25 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 127.245 2.218 . . . . 1.0 112.691 176.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 . . . . . 0 C--O 1.253 1.285 0 C-N-CA 126.462 1.905 . . . . 1.0 112.156 178.639 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 26.8 ptt? . . . . . 0 N--CA 1.498 1.942 0 N-CA-C 111.94 0.348 . . . . 1.0 111.94 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.9 t -152.09 175.48 12.52 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 125.222 1.409 . . . . 1.0 111.535 178.179 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 15.1 t -142.68 166.08 25.63 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 125.649 1.58 . . . . 1.0 112.269 177.319 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 24.8 m -65.89 149.05 97.96 Favored Pre-proline 0 N--CA 1.477 0.88 0 C-N-CA 124.722 1.209 . . . . 1.0 112.306 178.394 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_endo -69.63 161.47 45.77 Favored 'Trans proline' 0 CA--C 1.535 0.555 0 C-N-CA 122.908 2.405 . . . . 1.0 112.748 176.518 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 30.8 mtpp -122.06 -21.4 5.97 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 125.707 1.603 . . . . 1.0 112.884 176.338 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 76.9 m-85 -139.22 147.67 42.06 Favored 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 124.67 1.188 . . . . 1.0 111.638 -177.48 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 51.4 ttt180 -144.37 118.26 9.35 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 125.087 1.355 . . . . 1.0 111.299 169.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -63.57 119.12 51.01 Favored Pre-proline 0 CA--C 1.548 0.903 0 C-N-CA 125.347 1.459 . . . . 1.0 111.303 176.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -70.48 -20.9 30.84 Favored 'Trans proline' 0 CA--C 1.542 0.878 0 C-N-CA 122.456 2.104 . . . . 1.0 113.972 -179.357 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -76.16 -32.58 59.15 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 113.751 1.019 . . . . 1.0 113.751 -177.024 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 52.3 p -131.95 -15.32 3.01 Favored 'General case' 0 N--CA 1.483 1.214 0 N-CA-C 114.879 1.437 . . . . 1.0 114.879 -174.072 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 87.06 -0.77 86.3 Favored Glycine 0 CA--C 1.536 1.403 0 C-N-CA 124.744 1.164 . . . . 1.0 115.177 -179.322 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -60.2 149.45 32.99 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 125.832 1.653 . . . . 1.0 112.118 176.515 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 25.1 p -125.72 159.44 32.3 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 124.706 1.202 . . . . 1.0 113.573 -173.258 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 31.5 t90 -150.32 163.5 38.16 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.842 1.257 . . . . 1.0 111.289 172.256 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.7 m -136.41 20.77 3.16 Favored 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 115.995 1.85 . . . . 1.0 115.995 -168.4 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 80.61 20.17 66.78 Favored Glycine 0 CA--C 1.538 1.497 0 O-C-N 121.19 -0.943 . . . . 1.0 115.258 173.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -133.52 145.42 50.13 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 125.439 1.496 . . . . 1.0 111.588 -176.54 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 65.89 -166.62 35.86 Favored Glycine 0 CA--C 1.54 1.618 0 C-N-CA 123.372 0.511 . . . . 1.0 112.591 -169.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 94.7 mtt-85 -66.92 135.19 53.45 Favored 'General case' 0 N--CA 1.478 0.926 0 O-C-N 121.671 -0.899 . . . . 1.0 111.02 172.045 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -61.43 148.8 85.27 Favored Pre-proline 0 CA--C 1.55 0.964 0 C-N-CA 123.129 0.572 . . . . 1.0 112.328 174.085 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -72.62 156.82 53.32 Favored 'Trans proline' 0 CA--C 1.539 0.774 0 C-N-CA 123.183 2.589 . . . . 1.0 112.445 175.148 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.15 -34.34 71.97 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 115.101 1.519 . . . . 1.0 115.101 -169.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . . . . . . . . . 23.9 p-90 -64.08 -30.5 71.56 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 113.573 0.953 . . . . 1.0 113.573 178.015 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.7 tt -68.61 -29.91 68.53 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.551 1.141 . . . . 1.0 113.559 -171.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -74.56 47.92 1.83 Allowed Glycine 0 CA--C 1.536 1.403 0 C-N-CA 126.335 1.921 . . . . 1.0 116.384 -170.3 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 46.1 t30 -143.35 -54.16 0.38 Allowed 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.713 1.205 . . . . 1.0 112.699 176.301 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -158.65 89.54 2.17 Favored Pre-proline 0 CA--C 1.55 0.946 0 C-N-CA 124.46 1.104 . . . . 1.0 111.483 -177.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_exo -40.81 -39.84 3.31 Favored 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 125.262 3.975 . . . . 1.0 116.347 -178.571 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -61.39 -19.92 62.45 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 114.805 1.409 . . . . 1.0 114.805 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.43 -20.95 64.68 Favored 'General case' 0 CA--C 1.549 0.928 0 N-CA-C 113.917 1.08 . . . . 1.0 113.917 175.087 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -142.16 -6.32 0.95 Allowed 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 114.93 1.456 . . . . 1.0 114.93 -172.504 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 9.0 mt -56.13 130.02 42.47 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 119.802 1.183 . . . . 1.0 111.542 169.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 69.4 mt -77.82 134.47 28.3 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 C-N-CA 123.989 0.916 . . . . 1.0 108.548 170.544 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -140.58 152.44 66.22 Favored Pre-proline 0 CA--C 1.544 0.734 0 C-N-CA 125.255 1.422 . . . . 1.0 111.407 177.39 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -69.1 154.87 69.65 Favored 'Trans proline' 0 CA--C 1.538 0.701 0 C-N-CA 122.639 2.226 . . . . 1.0 112.742 -179.439 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -59.29 -23.64 62.59 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 125.577 1.551 . . . . 1.0 114.833 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 82.6 mt -137.35 149.62 66.19 Favored Pre-proline 0 CA--C 1.546 0.795 0 C-N-CA 127.458 2.303 . . . . 1.0 110.708 176.064 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -67.99 145.04 66.38 Favored 'Trans proline' 0 CA--C 1.54 0.813 0 C-N-CA 122.933 2.422 . . . . 1.0 112.84 -175.113 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -66.91 153.96 42.21 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 123.758 0.823 . . . . 1.0 112.523 174.206 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . 0.303 7.3 tp 32.49 55.66 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 127.599 2.36 . . . . 1.0 115.061 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 54.4 tp -68.4 -35.19 77.31 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 114.141 -1.39 . . . . 1.0 112.905 -178.666 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 . . . . . 0 C--O 1.255 1.378 0 C-N-CA 126.393 1.877 . . . . 1.0 113.486 -179.808 . . . . . . . . 0 0 . 1 stop_ save_