data_6g4x_residue ############################ # Computer software used # ############################ save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 6g4x _Structure_validation_residue.Date_analyzed 2019-10-11 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 ' 3' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo . . . . . 0 CA--C 1.514 -0.496 0 CA-C-O 119.288 -0.38 . . . . 0.0 112.909 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 20.9 tt -64.08 -44.97 97.81 Favored 'Isoleucine or valine' 0 C--N 1.346 0.456 0 CA-C-N 119.161 0.891 . . . . 0.0 112.654 174.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 72.9 mt -67.05 -41.06 87.14 Favored 'General case' 0 N--CA 1.449 -0.518 0 O-C-N 120.438 -1.414 . . . . 0.0 112.15 176.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.12 -41.03 95.95 Favored 'General case' 0 C--N 1.348 0.534 0 C-N-CA 124.929 1.291 . . . . 0.0 113.043 172.45 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 42.4 t -59.55 -43.02 93.64 Favored 'General case' 0 C--N 1.351 0.671 0 O-C-N 120.95 -1.094 . . . . 0.0 112.775 173.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.9 mp -66.69 -48.33 69.61 Favored 'General case' 0 C--N 1.347 0.464 0 O-C-N 120.366 -1.459 . . . . 0.0 112.602 171.041 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.61 -43.47 98.74 Favored 'General case' 0 C--N 1.347 0.469 0 N-CA-C 114.918 1.451 . . . . 0.0 114.918 -176.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.46 -43.73 93.29 Favored 'General case' 0 N--CA 1.448 -0.543 0 O-C-N 120.925 -1.109 . . . . 0.0 113.041 174.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -65.7 -36.78 84.59 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 125.737 1.615 . . . . 0.0 114.345 179.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -93.21 8.59 39.62 Favored 'General case' 0 C--N 1.347 0.467 0 O-C-N 120.775 -1.203 . . . . 0.0 112.95 -177.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 99.7 84.58 1.8 Allowed Glycine 0 C--N 1.35 1.353 0 O-C-N 120.664 -1.272 . . . . 0.0 115.526 164.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -80.88 -14.12 11.3 Favored 'Trans proline' 0 N--CA 1.457 -0.629 0 CA-C-N 121.401 2.601 . . . . 0.0 110.257 -172.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.7 tptp -66.44 -41.56 88.96 Favored 'General case' 0 C--N 1.349 0.544 0 N-CA-C 114.224 1.194 . . . . 0.0 114.224 178.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.76 -40.57 88.28 Favored 'General case' 0 C--N 1.351 0.665 0 O-C-N 121.45 -0.781 . . . . 0.0 112.803 173.532 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -63.39 -46.68 85.34 Favored 'General case' 0 C--N 1.353 0.745 0 O-C-N 120.684 -1.26 . . . . 0.0 112.753 174.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.3 p -64.57 -32.49 74.16 Favored 'General case' 0 C--N 1.345 0.4 0 N-CA-C 115.981 1.845 . . . . 0.0 115.981 -176.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.283 2.3 pp -63.66 -38.71 92.15 Favored 'General case' 0 C--N 1.353 0.734 0 N-CA-C 116.038 1.866 . . . . 0.0 116.038 -175.177 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.1 t . . . . . 0 C--N 1.354 0.769 0 O-C-N 120.506 -1.371 . . . . 0.0 109.364 171.957 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_endo . . . . . 0 CA--C 1.516 -0.389 0 N-CA-C 114.888 1.072 . . . . 0.0 114.888 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 8.7 tp -64.44 -44.22 97.01 Favored 'Isoleucine or valine' 0 C--N 1.347 0.48 0 CA-C-N 119.954 1.252 . . . . 0.0 112.953 174.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 78.5 mt -67.57 -42.13 83.06 Favored 'General case' 0 C--N 1.349 0.555 0 O-C-N 120.67 -1.269 . . . . 0.0 111.763 175.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.6 -42.13 98.44 Favored 'General case' 0 C--N 1.349 0.552 0 C-N-CA 124.286 1.034 . . . . 0.0 113.14 174.081 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 35.9 t -59.86 -42.55 93.94 Favored 'General case' 0 C--N 1.352 0.691 0 C-N-CA 124.926 1.29 . . . . 0.0 112.525 173.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.2 tt -66.33 -50.93 61.94 Favored 'General case' 0 C--N 1.347 0.487 0 O-C-N 120.781 -1.2 . . . . 0.0 112.347 172.013 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.35 -43.23 99.3 Favored 'General case' 0 C--N 1.348 0.504 0 N-CA-C 114.639 1.348 . . . . 0.0 114.639 -175.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.93 -41.63 99.54 Favored 'General case' 0 C--N 1.348 0.541 0 O-C-N 121.018 -1.051 . . . . 0.0 113.179 175.052 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.9 ttpm? -78.22 -19.27 54.15 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 124.617 1.167 . . . . 0.0 113.654 -175.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -96.49 2.92 52.93 Favored 'General case' 0 C--N 1.347 0.486 0 O-C-N 120.924 -1.11 . . . . 0.0 111.598 177.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 94.69 79.66 1.46 Allowed Glycine 0 C--N 1.35 1.352 0 O-C-N 120.396 -1.44 . . . . 0.0 114.79 168.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -79.13 -14.39 13.44 Favored 'Trans proline' 0 N--CA 1.459 -0.511 0 CA-C-N 121.395 2.598 . . . . 0.0 110.442 -166.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.7 tptt -62.57 -40.24 96.23 Favored 'General case' 0 N--CA 1.447 -0.6 0 O-C-N 121.322 -0.861 . . . . 0.0 112.479 174.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -62.54 -40.7 97.64 Favored 'General case' 0 C--N 1.349 0.566 0 C-N-CA 125.476 1.51 . . . . 0.0 111.845 176.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -62.96 -47.12 84.56 Favored 'General case' 0 C--N 1.351 0.671 0 O-C-N 121.017 -1.052 . . . . 0.0 112.06 171.495 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 59.2 p -57.7 -37.22 73.13 Favored 'General case' 0 C--N 1.351 0.653 0 N-CA-C 116.042 1.868 . . . . 0.0 116.042 -170.17 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.8 pp -72.11 -16.28 62.01 Favored 'General case' 0 C--N 1.348 0.537 0 N-CA-C 115.191 1.552 . . . . 0.0 115.191 -167.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.7 t . . . . . 0 C--N 1.351 0.654 0 CA-C-O 122.419 1.104 . . . . 0.0 108.374 166.787 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo . . . . . 0 CA--C 1.517 -0.358 0 N-CA-C 114.837 1.053 . . . . 0.0 114.837 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 8.1 tp -64.74 -45.01 96.44 Favored 'Isoleucine or valine' 0 C--N 1.348 0.52 0 CA-C-N 119.849 1.204 . . . . 0.0 112.793 174.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 84.8 mt -66.95 -41.52 86.78 Favored 'General case' 0 C--N 1.349 0.548 0 O-C-N 120.538 -1.351 . . . . 0.0 111.937 176.288 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.29 -42.44 98.66 Favored 'General case' 0 C--N 1.349 0.546 0 C-N-CA 124.366 1.066 . . . . 0.0 112.953 173.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 31.8 t -60.55 -42.32 96.34 Favored 'General case' 0 C--N 1.352 0.681 0 O-C-N 120.849 -1.157 . . . . 0.0 112.714 173.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 77.8 mt -65.35 -48.95 71.21 Favored 'General case' 0 C--N 1.346 0.436 0 O-C-N 120.166 -1.584 . . . . 0.0 113.077 171.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.24 -43.0 99.82 Favored 'General case' 0 C--N 1.347 0.485 0 N-CA-C 114.405 1.261 . . . . 0.0 114.405 -177.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.74 -41.41 99.18 Favored 'General case' 0 N--CA 1.448 -0.566 0 C-N-CA 124.323 1.049 . . . . 0.0 113.236 174.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.8 ttmp? -75.6 -22.38 56.96 Favored 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 124.488 1.115 . . . . 0.0 113.749 -175.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -99.41 6.06 46.14 Favored 'General case' 0 C--N 1.348 0.524 0 O-C-N 120.952 -1.092 . . . . 0.0 112.658 179.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 96.35 79.57 1.47 Allowed Glycine 0 C--N 1.35 1.332 0 O-C-N 120.623 -1.298 . . . . 0.0 114.507 169.113 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -80.36 -17.36 10.3 Favored 'Trans proline' 0 CA--C 1.511 -0.674 0 CA-C-N 121.347 2.574 . . . . 0.0 110.468 -164.098 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.6 tptt -65.9 -32.07 73.37 Favored 'General case' 0 C--N 1.349 0.556 0 O-C-N 121.279 -0.888 . . . . 0.0 112.92 176.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 76.5 mt -61.79 -43.37 98.99 Favored 'General case' 0 C--N 1.35 0.6 0 C-N-CA 124.309 1.043 . . . . 0.0 112.432 173.428 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -65.1 -43.19 92.88 Favored 'General case' 0 C--N 1.349 0.581 0 O-C-N 121.152 -0.968 . . . . 0.0 111.949 172.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 39.6 t -61.92 -43.78 98.14 Favored 'General case' 0 C--N 1.346 0.45 0 N-CA-C 114.889 1.44 . . . . 0.0 114.889 178.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.261 2.3 pp -65.06 -38.13 89.8 Favored 'General case' 0 C--N 1.351 0.655 0 N-CA-C 115.381 1.622 . . . . 0.0 115.381 -174.158 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.9 t . . . . . 0 C--N 1.35 0.616 0 O-C-N 120.721 -1.237 . . . . 0.0 109.674 176.183 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo . . . . . 0 CA--C 1.516 -0.413 0 CA-C-O 118.999 -0.501 . . . . 0.0 113.119 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.1 tt -63.78 -47.24 91.82 Favored 'Isoleucine or valine' 0 C--N 1.347 0.464 0 CA-C-N 119.406 1.003 . . . . 0.0 113.698 175.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.7 pp -71.57 -36.67 71.0 Favored 'General case' 0 C--N 1.353 0.734 0 O-C-N 120.072 -1.642 . . . . 0.0 112.011 176.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.78 -41.85 98.24 Favored 'General case' 0 C--N 1.351 0.66 0 O-C-N 121.018 -1.051 . . . . 0.0 113.015 173.162 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 40.8 t -59.59 -42.78 93.33 Favored 'General case' 0 C--N 1.351 0.65 0 C-N-CA 124.859 1.264 . . . . 0.0 112.656 173.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 87.5 mt -66.74 -49.91 64.45 Favored 'General case' 0 C--N 1.346 0.439 0 O-C-N 120.614 -1.303 . . . . 0.0 113.121 171.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.74 -43.57 98.45 Favored 'General case' 0 C--N 1.347 0.494 0 N-CA-C 114.694 1.368 . . . . 0.0 114.694 -175.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.43 -44.39 91.34 Favored 'General case' 0 C--N 1.349 0.556 0 O-C-N 121.085 -1.009 . . . . 0.0 113.034 175.126 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.9 ttpm? -66.03 -37.36 85.67 Favored 'General case' 0 C--N 1.345 0.394 0 C-N-CA 125.925 1.69 . . . . 0.0 114.533 -179.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -76.66 -12.11 59.95 Favored 'General case' 0 C--N 1.347 0.49 0 O-C-N 120.872 -1.143 . . . . 0.0 113.108 175.417 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 97.97 88.18 1.89 Allowed Glycine 0 C--N 1.35 1.335 0 O-C-N 120.897 -1.127 . . . . 0.0 113.531 168.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -90.04 5.58 4.46 Favored 'Trans proline' 0 C--N 1.328 -0.548 0 CA-C-N 122.874 3.337 . . . . 0.0 110.204 -160.063 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.3 tptp -64.21 -40.55 96.3 Favored 'General case' 0 N--CA 1.449 -0.475 0 O-C-N 120.526 -1.359 . . . . 0.0 114.262 -177.325 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -73.95 -20.24 60.43 Favored 'General case' 0 C--N 1.351 0.645 0 O-C-N 120.729 -1.232 . . . . 0.0 113.358 177.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -70.48 -46.87 62.92 Favored 'General case' 0 C--N 1.352 0.694 0 O-C-N 120.874 -1.141 . . . . 0.0 110.895 165.321 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 76.9 p -58.25 -41.58 84.52 Favored 'General case' 0 C--N 1.353 0.747 0 N-CA-C 115.632 1.716 . . . . 0.0 115.632 -172.151 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.6 pp -74.52 -16.38 60.84 Favored 'General case' 0 C--N 1.349 0.582 0 N-CA-C 114.941 1.459 . . . . 0.0 114.941 -170.442 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.5 t . . . . . 0 C--N 1.35 0.623 0 CA-C-O 122.858 1.313 . . . . 0.0 108.38 171.265 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo . . . . . 0 CA--C 1.518 -0.325 0 CA-C-O 118.354 -0.769 . . . . 0.0 113.697 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 19.7 tt -67.43 -43.51 87.53 Favored 'Isoleucine or valine' 0 C--N 1.351 0.638 0 CA-C-N 120.453 1.479 . . . . 0.0 112.182 174.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 96.0 mt -61.87 -43.83 98.05 Favored 'General case' 0 C--N 1.352 0.705 0 O-C-N 120.606 -1.309 . . . . 0.0 112.709 173.2 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.82 -40.93 97.0 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 124.542 1.137 . . . . 0.0 113.271 174.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 36.1 t -59.42 -43.8 92.99 Favored 'General case' 0 C--N 1.351 0.64 0 C-N-CA 124.409 1.084 . . . . 0.0 112.722 175.042 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.0 mp -67.62 -49.74 61.49 Favored 'General case' 0 C--N 1.347 0.474 0 O-C-N 120.613 -1.304 . . . . 0.0 112.408 171.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.26 -43.14 99.5 Favored 'General case' 0 C--N 1.348 0.52 0 N-CA-C 114.754 1.39 . . . . 0.0 114.754 -175.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.37 -41.96 98.84 Favored 'General case' 0 N--CA 1.448 -0.554 0 O-C-N 121.025 -1.047 . . . . 0.0 112.987 174.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.2 ttpm? -76.26 -19.94 57.85 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 124.767 1.227 . . . . 0.0 113.599 -175.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -96.18 3.14 53.4 Favored 'General case' 0 C--N 1.347 0.477 0 O-C-N 120.686 -1.259 . . . . 0.0 112.252 176.114 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 93.05 79.68 1.44 Allowed Glycine 0 C--N 1.35 1.32 0 O-C-N 120.604 -1.31 . . . . 0.0 114.661 168.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -79.32 -17.06 11.79 Favored 'Trans proline' 0 CA--C 1.512 -0.581 0 CA-C-N 121.532 2.666 . . . . 0.0 110.183 -164.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.8 tptt -62.83 -38.31 90.27 Favored 'General case' 0 N--CA 1.448 -0.538 0 O-C-N 121.224 -0.922 . . . . 0.0 112.521 174.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.3 mp -63.15 -38.47 91.3 Favored 'General case' 0 C--N 1.35 0.587 0 C-N-CA 125.688 1.595 . . . . 0.0 112.224 176.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -66.22 -44.69 83.1 Favored 'General case' 0 C--N 1.348 0.527 0 C-N-CA 124.532 1.133 . . . . 0.0 112.45 171.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 82.1 p -56.44 -39.79 73.71 Favored 'General case' 0 C--N 1.351 0.648 0 N-CA-C 118.139 2.644 . . . . 0.0 118.139 -163.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.405 ' H ' HD21 ' A' ' 19' ' ' LEU . 0.5 OUTLIER -61.12 -40.11 92.54 Favored 'General case' 0 C--N 1.351 0.643 0 N-CA-C 115.69 1.737 . . . . 0.0 115.69 -168.449 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.5 t . . . . . 0 C--N 1.348 0.514 0 CA-C-O 123.016 1.389 . . . . 0.0 108.577 174.48 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo . . . . . 0 N--CA 1.461 -0.393 0 CA-C-O 118.59 -0.671 . . . . 0.0 112.871 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 20.0 tt -67.26 -44.45 87.48 Favored 'Isoleucine or valine' 0 C--N 1.35 0.592 0 CA-C-N 120.08 1.309 . . . . 0.0 112.302 175.377 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 88.9 mt -63.09 -42.9 99.7 Favored 'General case' 0 C--N 1.351 0.639 0 O-C-N 120.505 -1.372 . . . . 0.0 112.752 174.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.73 -40.93 96.79 Favored 'General case' 0 C--N 1.35 0.603 0 O-C-N 120.984 -1.073 . . . . 0.0 113.237 173.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 33.0 t -59.93 -43.08 95.14 Favored 'General case' 0 C--N 1.35 0.628 0 O-C-N 120.916 -1.115 . . . . 0.0 112.687 174.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.6 mp -66.74 -48.61 68.62 Favored 'General case' 0 C--N 1.346 0.424 0 O-C-N 120.034 -1.667 . . . . 0.0 112.71 171.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.9 -43.92 97.48 Favored 'General case' 0 C--N 1.347 0.484 0 N-CA-C 114.947 1.462 . . . . 0.0 114.947 -176.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.83 -42.57 94.85 Favored 'General case' 0 N--CA 1.449 -0.522 0 O-C-N 120.962 -1.086 . . . . 0.0 113.244 175.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.7 ttmp? -65.1 -37.39 87.34 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 125.378 1.471 . . . . 0.0 114.188 -179.158 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -94.59 9.21 39.55 Favored 'General case' 0 C--N 1.347 0.498 0 O-C-N 120.952 -1.092 . . . . 0.0 113.347 -175.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 98.99 80.07 1.5 Allowed Glycine 0 C--N 1.351 1.361 0 O-C-N 120.721 -1.237 . . . . 0.0 115.051 166.362 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -80.08 -18.76 9.86 Favored 'Trans proline' 0 CA--C 1.512 -0.623 0 CA-C-N 121.305 2.552 . . . . 0.0 110.874 -164.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 26.5 mmtp -62.19 -37.79 86.65 Favored 'General case' 0 C--N 1.35 0.622 0 N-CA-C 113.264 0.838 . . . . 0.0 113.264 175.095 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 77.6 mt -62.24 -41.1 98.11 Favored 'General case' 0 C--N 1.348 0.533 0 C-N-CA 123.917 0.887 . . . . 0.0 111.604 175.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -66.67 -46.27 76.19 Favored 'General case' 0 C--N 1.35 0.605 0 O-C-N 121.33 -0.856 . . . . 0.0 112.85 171.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 59.6 p -65.34 -42.99 92.31 Favored 'General case' 0 C--N 1.35 0.623 0 N-CA-C 115.37 1.618 . . . . 0.0 115.37 -176.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.5 pp -64.91 -38.94 92.63 Favored 'General case' 0 C--N 1.353 0.756 0 N-CA-C 114.575 1.324 . . . . 0.0 114.575 -174.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.0 t . . . . . 0 C--N 1.35 0.624 0 CA-C-O 122.987 1.375 . . . . 0.0 109.968 174.835 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo . . . . . 0 CA--C 1.517 -0.372 0 CA-C-O 119.103 -0.457 . . . . 0.0 113.274 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.1 tt -63.72 -46.55 94.3 Favored 'Isoleucine or valine' 0 C--N 1.346 0.451 0 N-CA-C 113.684 0.994 . . . . 0.0 113.684 174.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.5 pp -72.18 -35.93 69.11 Favored 'General case' 0 C--N 1.354 0.795 0 O-C-N 120.315 -1.491 . . . . 0.0 111.906 176.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.71 -42.89 99.55 Favored 'General case' 0 C--N 1.35 0.61 0 O-C-N 120.588 -1.32 . . . . 0.0 112.853 172.048 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 33.0 t -60.92 -44.22 97.5 Favored 'General case' 0 C--N 1.351 0.66 0 O-C-N 120.82 -1.175 . . . . 0.0 113.286 175.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . 0.251 3.1 pp -69.76 -42.87 73.29 Favored 'General case' 0 C--N 1.35 0.601 0 O-C-N 119.817 -1.802 . . . . 0.0 113.394 172.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.71 -43.42 98.84 Favored 'General case' 0 C--N 1.35 0.605 0 O-C-N 120.212 -1.555 . . . . 0.0 114.56 179.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.95 -43.54 98.52 Favored 'General case' 0 C--N 1.35 0.606 0 CA-C-O 122.213 1.006 . . . . 0.0 112.892 174.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.8 ttmp? -65.06 -36.21 83.61 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 125.646 1.578 . . . . 0.0 113.677 178.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -94.0 12.96 24.4 Favored 'General case' 0 C--N 1.348 0.52 0 O-C-N 120.543 -1.348 . . . . 0.0 113.377 -177.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 95.96 83.29 1.65 Allowed Glycine 0 C--N 1.351 1.408 0 N-CA-C 115.955 1.142 . . . . 0.0 115.955 162.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -86.58 -26.47 0.99 Allowed 'Trans proline' 0 CA--C 1.512 -0.623 0 CA-C-N 121.668 2.734 . . . . 0.0 110.517 -165.023 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.3 tptt -63.35 -40.76 98.17 Favored 'General case' 0 C--N 1.351 0.648 0 CA-C-N 119.685 1.13 . . . . 0.0 112.205 176.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 83.5 mt -61.7 -40.09 93.78 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 125.132 1.373 . . . . 0.0 112.774 172.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -62.52 -44.8 95.48 Favored 'General case' 0 C--N 1.354 0.801 0 O-C-N 120.898 -1.126 . . . . 0.0 111.783 171.473 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 56.2 p -60.25 -40.31 89.83 Favored 'General case' 0 C--N 1.35 0.618 0 N-CA-C 115.902 1.815 . . . . 0.0 115.902 -174.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.3 pp -65.92 -36.94 84.76 Favored 'General case' 0 C--N 1.351 0.651 0 N-CA-C 115.337 1.606 . . . . 0.0 115.337 -172.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.8 t . . . . . 0 C--N 1.351 0.647 0 CA-C-O 122.79 1.281 . . . . 0.0 109.294 173.351 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo . . . . . 0 CA--C 1.516 -0.39 0 CA-C-O 119.077 -0.468 . . . . 0.0 113.023 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.0 tt -62.6 -44.3 99.26 Favored 'Isoleucine or valine' 0 C--N 1.347 0.497 0 CA-C-N 119.371 0.987 . . . . 0.0 112.802 174.132 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 85.8 mt -65.11 -43.18 92.85 Favored 'General case' 0 C--N 1.35 0.592 0 O-C-N 120.576 -1.328 . . . . 0.0 111.838 175.345 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.32 -40.34 93.84 Favored 'General case' 0 C--N 1.35 0.597 0 C-N-CA 124.37 1.068 . . . . 0.0 113.219 174.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 32.2 t -58.83 -43.52 90.71 Favored 'General case' 0 C--N 1.35 0.592 0 C-N-CA 124.455 1.102 . . . . 0.0 113.022 176.106 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.9 mp -69.99 -49.43 51.61 Favored 'General case' 0 C--N 1.347 0.492 0 O-C-N 120.467 -1.396 . . . . 0.0 112.288 171.18 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.84 -43.51 98.61 Favored 'General case' 0 C--N 1.349 0.576 0 N-CA-C 114.927 1.454 . . . . 0.0 114.927 -173.441 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.47 -42.37 78.81 Favored 'General case' 0 N--CA 1.448 -0.546 0 O-C-N 120.738 -1.226 . . . . 0.0 113.652 174.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.9 ttpm? -68.38 -44.33 75.38 Favored 'General case' 0 C--N 1.349 0.547 0 N-CA-C 114.684 1.364 . . . . 0.0 114.684 -176.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -68.37 -38.77 81.72 Favored 'General case' 0 C--N 1.351 0.637 0 CA-C-O 123.555 1.645 . . . . 0.0 110.483 165.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 90.57 139.9 8.23 Favored Glycine 0 C--N 1.341 0.857 0 C-N-CA 126.646 2.07 . . . . 0.0 111.317 174.235 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -89.91 11.01 2.92 Favored 'Trans proline' 0 C--N 1.327 -0.586 0 CA-C-N 121.648 2.724 . . . . 0.0 110.496 -162.287 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.1 mppt? -53.98 -44.07 70.48 Favored 'General case' 0 C--N 1.351 0.631 0 C-N-CA 126.465 1.906 . . . . 0.0 113.706 -173.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -65.31 -39.09 92.04 Favored 'General case' 0 N--CA 1.446 -0.627 0 C-N-CA 124.775 1.23 . . . . 0.0 112.536 179.002 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -74.38 -47.28 35.06 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 126.548 1.939 . . . . 0.0 112.126 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 71.0 p -62.16 -44.76 95.9 Favored 'General case' 0 C--N 1.348 0.537 0 N-CA-C 115.156 1.539 . . . . 0.0 115.156 -167.134 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.8 pp -76.36 -15.09 60.04 Favored 'General case' 0 C--N 1.347 0.46 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 -175.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 25.0 t . . . . . 0 C--N 1.352 0.675 0 CA-C-O 122.89 1.328 . . . . 0.0 108.672 174.109 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo . . . . . 0 CA--C 1.517 -0.345 0 N-CA-C 113.655 0.598 . . . . 0.0 113.655 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 7.8 tp -63.76 -45.73 96.44 Favored 'Isoleucine or valine' 0 C--N 1.348 0.529 0 CA-C-N 119.546 1.067 . . . . 0.0 113.002 173.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 83.1 mt -67.36 -41.91 84.31 Favored 'General case' 0 C--N 1.349 0.565 0 O-C-N 120.352 -1.467 . . . . 0.0 111.962 176.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.87 -41.8 96.67 Favored 'General case' 0 C--N 1.349 0.553 0 C-N-CA 124.13 0.972 . . . . 0.0 113.114 173.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 39.8 t -59.98 -43.21 95.27 Favored 'General case' 0 C--N 1.352 0.689 0 C-N-CA 124.625 1.17 . . . . 0.0 112.778 173.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 77.6 mt -67.18 -48.69 67.2 Favored 'General case' 0 C--N 1.345 0.409 0 O-C-N 120.395 -1.44 . . . . 0.0 113.02 172.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.03 -43.8 97.68 Favored 'General case' 0 C--N 1.348 0.515 0 N-CA-C 114.741 1.385 . . . . 0.0 114.741 -176.565 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.91 -44.15 90.52 Favored 'General case' 0 C--N 1.349 0.572 0 O-C-N 120.966 -1.084 . . . . 0.0 113.069 175.157 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.1 ttpm? -65.6 -36.61 84.25 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 125.648 1.579 . . . . 0.0 114.606 -179.221 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -92.07 6.0 48.13 Favored 'General case' 0 C--N 1.346 0.452 0 O-C-N 120.773 -1.204 . . . . 0.0 112.48 -177.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 95.84 83.32 1.65 Allowed Glycine 0 C--N 1.351 1.366 0 O-C-N 120.795 -1.19 . . . . 0.0 114.198 166.462 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -74.69 -7.24 19.2 Favored 'Trans proline' 0 C--N 1.331 -0.345 0 CA-C-N 122.037 2.918 . . . . 0.0 111.941 -166.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.2 tptt -62.49 -42.11 99.26 Favored 'General case' 0 N--CA 1.445 -0.69 0 O-C-N 120.964 -1.085 . . . . 0.0 113.611 176.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.3 pp -63.55 -38.47 91.25 Favored 'General case' 0 C--N 1.353 0.738 0 C-N-CA 123.758 0.823 . . . . 0.0 113.033 176.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -62.59 -45.33 93.4 Favored 'General case' 0 C--N 1.35 0.605 0 C-N-CA 125.286 1.434 . . . . 0.0 111.548 171.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 53.5 p -60.45 -41.58 94.36 Favored 'General case' 0 C--N 1.351 0.664 0 N-CA-C 115.666 1.728 . . . . 0.0 115.666 -177.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.4 pp -77.31 -16.27 59.03 Favored 'General case' 0 C--N 1.351 0.653 0 N-CA-C 114.807 1.41 . . . . 0.0 114.807 -166.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.8 t . . . . . 0 C--N 1.35 0.604 0 CA-C-O 122.37 1.081 . . . . 0.0 108.099 169.391 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_endo . . . . . 0 CA--C 1.516 -0.39 0 N-CA-C 113.757 0.637 . . . . 0.0 113.757 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.1 tt -62.8 -43.54 98.86 Favored 'Isoleucine or valine' 0 C--N 1.347 0.487 0 CA-C-N 119.376 0.989 . . . . 0.0 113.02 172.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 79.4 mt -66.48 -43.0 86.63 Favored 'General case' 0 C--N 1.351 0.645 0 C-N-CA 125.162 1.385 . . . . 0.0 111.902 176.153 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.31 -44.05 97.41 Favored 'General case' 0 N--CA 1.446 -0.63 0 O-C-N 121.239 -0.913 . . . . 0.0 113.125 174.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.8 t -62.17 -47.83 82.76 Favored 'General case' 0 C--N 1.35 0.609 0 C-N-CA 124.19 0.996 . . . . 0.0 113.064 176.351 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.5 pp -65.71 -38.44 89.2 Favored 'General case' 0 C--N 1.353 0.758 0 O-C-N 119.997 -1.69 . . . . 0.0 113.224 175.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.31 -42.61 99.51 Favored 'General case' 0 C--N 1.35 0.625 0 O-C-N 120.496 -1.377 . . . . 0.0 113.774 173.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.24 -47.31 80.14 Favored 'General case' 0 C--N 1.35 0.607 0 C-N-CA 124.293 1.037 . . . . 0.0 113.331 172.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.0 tmtt? -63.89 -35.9 82.18 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 125.438 1.495 . . . . 0.0 113.805 178.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 -96.75 20.65 10.6 Favored 'General case' 0 C--N 1.346 0.443 0 O-C-N 120.344 -1.473 . . . . 0.0 112.709 176.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 92.28 95.61 1.38 Allowed Glycine 0 C--N 1.352 1.418 0 O-C-N 120.041 -1.662 . . . . 0.0 116.207 162.047 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_endo -96.84 -29.06 0.06 OUTLIER 'Trans proline' 0 CA--C 1.514 -0.513 0 CA-C-N 121.125 2.462 . . . . 0.0 110.652 -167.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.1 tptt -65.5 -34.12 77.53 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-N 120.48 1.491 . . . . 0.0 112.713 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.7 mp -59.87 -40.66 89.39 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 125.4 1.48 . . . . 0.0 112.095 172.01 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 38.0 t80 -65.86 -45.16 83.16 Favored 'General case' 0 C--N 1.356 0.868 0 O-C-N 120.858 -1.151 . . . . 0.0 111.299 169.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 27.0 t -58.25 -41.49 84.31 Favored 'General case' 0 C--N 1.346 0.454 0 N-CA-C 114.895 1.443 . . . . 0.0 114.895 -175.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.252 1.9 pp -63.91 -38.07 89.74 Favored 'General case' 0 C--N 1.35 0.598 0 N-CA-C 115.979 1.844 . . . . 0.0 115.979 -176.36 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.7 t . . . . . 0 C--N 1.352 0.689 0 O-C-N 120.479 -1.388 . . . . 0.0 109.996 176.227 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo . . . . . 0 N--CA 1.462 -0.335 0 CA-C-O 118.323 -0.782 . . . . 0.0 113.916 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 8.9 tp -67.74 -43.12 86.69 Favored 'Isoleucine or valine' 0 C--N 1.352 0.686 0 CA-C-N 120.551 1.523 . . . . 0.0 111.899 174.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 95.7 mt -61.42 -43.74 98.35 Favored 'General case' 0 C--N 1.352 0.7 0 O-C-N 120.384 -1.447 . . . . 0.0 112.88 172.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.73 -41.19 97.31 Favored 'General case' 0 C--N 1.349 0.564 0 C-N-CA 124.514 1.126 . . . . 0.0 113.329 174.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 44.1 t -59.3 -43.93 92.57 Favored 'General case' 0 C--N 1.351 0.668 0 C-N-CA 124.515 1.126 . . . . 0.0 112.617 174.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.9 mp -67.56 -47.72 69.01 Favored 'General case' 0 C--N 1.346 0.428 0 O-C-N 120.411 -1.43 . . . . 0.0 112.649 171.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.83 -43.99 97.33 Favored 'General case' 0 C--N 1.346 0.415 0 N-CA-C 115.015 1.487 . . . . 0.0 115.015 -176.455 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.7 -43.91 91.98 Favored 'General case' 0 C--N 1.35 0.603 0 O-C-N 121.159 -0.963 . . . . 0.0 112.982 175.379 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -64.92 -37.53 87.95 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 125.394 1.477 . . . . 0.0 113.81 178.13 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -94.44 16.59 14.85 Favored 'General case' 0 C--N 1.347 0.486 0 O-C-N 120.411 -1.431 . . . . 0.0 113.491 -177.337 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 95.12 83.58 1.63 Allowed Glycine 0 C--N 1.349 1.258 0 O-C-N 120.603 -1.31 . . . . 0.0 115.787 162.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -89.86 -20.39 1.18 Allowed 'Trans proline' 0 CA--C 1.511 -0.626 0 CA-C-N 120.796 2.298 . . . . 0.0 110.361 -166.523 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.2 tptp -66.74 -41.12 88.35 Favored 'General case' 0 C--N 1.35 0.591 0 O-C-N 120.625 -1.297 . . . . 0.0 113.226 178.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.4 mp -63.54 -44.52 93.93 Favored 'General case' 0 C--N 1.348 0.519 0 C-N-CA 124.883 1.273 . . . . 0.0 111.19 172.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.15 -46.26 91.29 Favored 'General case' 0 C--N 1.35 0.63 0 C-N-CA 124.417 1.087 . . . . 0.0 112.141 178.577 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.2 p -66.91 -41.5 87.02 Favored 'General case' 0 C--N 1.345 0.395 0 N-CA-C 115.444 1.646 . . . . 0.0 115.444 174.404 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.253 2.2 pp -69.48 -35.56 75.7 Favored 'General case' 0 C--N 1.357 0.892 0 O-C-N 119.893 -1.754 . . . . 0.0 114.418 -179.737 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 47.4 t . . . . . 0 C--N 1.35 0.596 0 O-C-N 120.462 -1.399 . . . . 0.0 110.331 179.464 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo . . . . . 0 CA--C 1.513 -0.547 0 N-CA-C 115.161 1.177 . . . . 0.0 115.161 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.5 tt -64.14 -44.32 97.57 Favored 'Isoleucine or valine' 0 C--N 1.347 0.464 0 CA-C-N 119.814 1.188 . . . . 0.0 113.207 176.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 85.9 mt -68.11 -42.46 80.22 Favored 'General case' 0 C--N 1.349 0.575 0 O-C-N 120.686 -1.259 . . . . 0.0 111.895 176.221 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.13 -44.08 97.43 Favored 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 124.267 1.027 . . . . 0.0 113.22 175.41 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 21.8 t -62.62 -45.31 93.44 Favored 'General case' 0 C--N 1.35 0.619 0 C-N-CA 124.306 1.043 . . . . 0.0 112.446 173.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.0 tt -60.87 -45.34 94.94 Favored 'General case' 0 C--N 1.351 0.65 0 O-C-N 120.581 -1.324 . . . . 0.0 112.737 176.282 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.62 -44.0 97.39 Favored 'General case' 0 C--N 1.35 0.595 0 C-N-CA 124.339 1.055 . . . . 0.0 113.438 174.145 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.03 -43.46 95.3 Favored 'General case' 0 C--N 1.351 0.661 0 C-N-CA 124.787 1.235 . . . . 0.0 112.635 175.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -72.75 -11.7 60.72 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 126.654 1.982 . . . . 0.0 113.38 179.664 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -104.15 0.04 29.12 Favored 'General case' 0 C--N 1.346 0.455 0 O-C-N 119.273 -2.142 . . . . 0.0 112.54 170.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 89.06 80.02 1.31 Allowed Glycine 0 C--N 1.349 1.255 0 O-C-N 120.688 -1.257 . . . . 0.0 114.463 170.177 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -92.04 8.4 2.97 Favored 'Trans proline' 0 CA--C 1.512 -0.591 0 CA-C-N 121.935 2.867 . . . . 0.0 110.062 -158.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -62.27 -38.9 91.11 Favored 'General case' 0 C--N 1.348 0.501 0 C-N-CA 125.12 1.368 . . . . 0.0 112.629 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.6 mp -62.26 -43.85 97.89 Favored 'General case' 0 C--N 1.348 0.542 0 C-N-CA 123.856 0.863 . . . . 0.0 111.542 175.127 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -65.61 -41.42 92.75 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 124.592 1.157 . . . . 0.0 112.987 176.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 86.4 p -66.28 -43.27 86.87 Favored 'General case' 0 C--N 1.351 0.658 0 N-CA-C 114.716 1.376 . . . . 0.0 114.716 173.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.8 pp -66.5 -32.56 73.99 Favored 'General case' 0 C--N 1.355 0.847 0 CA-C-N 119.836 1.198 . . . . 0.0 113.928 -178.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 22.8 m . . . . . 0 C--N 1.351 0.668 0 O-C-N 120.325 -1.484 . . . . 0.0 111.068 174.44 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo . . . . . 0 CA--C 1.51 -0.7 0 CA-C-O 118.905 -0.54 . . . . 0.0 111.846 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 20.7 tt -62.64 -45.01 99.86 Favored 'Isoleucine or valine' 0 C--N 1.347 0.491 0 CA-C-N 119.204 0.911 . . . . 0.0 112.702 174.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 78.3 mt -66.47 -41.38 89.08 Favored 'General case' 0 C--N 1.35 0.596 0 O-C-N 120.626 -1.296 . . . . 0.0 112.291 175.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.81 -42.37 98.93 Favored 'General case' 0 C--N 1.349 0.555 0 N-CA-C 113.454 0.909 . . . . 0.0 113.454 174.594 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.9 t -61.18 -45.83 93.01 Favored 'General case' 0 C--N 1.35 0.6 0 C-N-CA 124.464 1.106 . . . . 0.0 112.735 174.274 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 85.2 mt -63.32 -43.89 96.5 Favored 'General case' 0 C--N 1.349 0.583 0 O-C-N 120.523 -1.361 . . . . 0.0 113.255 173.507 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.66 -41.74 97.96 Favored 'General case' 0 C--N 1.346 0.454 0 O-C-N 120.529 -1.357 . . . . 0.0 113.642 175.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.57 -45.71 91.7 Favored 'General case' 0 C--N 1.349 0.587 0 C-N-CA 124.451 1.1 . . . . 0.0 113.185 172.318 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -62.96 -38.45 91.12 Favored 'General case' 0 N--CA 1.45 -0.425 0 C-N-CA 125.761 1.624 . . . . 0.0 114.21 178.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -94.29 11.6 29.79 Favored 'General case' 0 C--N 1.348 0.503 0 O-C-N 120.808 -1.183 . . . . 0.0 113.158 -178.061 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 95.31 84.92 1.68 Allowed Glycine 0 C--N 1.35 1.309 0 O-C-N 120.493 -1.379 . . . . 0.0 115.206 164.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -82.32 -27.46 2.29 Favored 'Trans proline' 0 CA--C 1.511 -0.652 0 CA-C-N 121.23 2.515 . . . . 0.0 109.166 -168.405 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.5 tptt -64.45 -39.75 94.42 Favored 'General case' 0 C--N 1.35 0.595 0 O-C-N 121.325 -0.859 . . . . 0.0 112.221 173.161 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 57.7 tp -61.75 -42.01 98.42 Favored 'General case' 0 C--N 1.35 0.626 0 C-N-CA 124.771 1.229 . . . . 0.0 112.338 173.028 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -61.68 -44.65 96.55 Favored 'General case' 0 C--N 1.349 0.552 0 O-C-N 120.615 -1.303 . . . . 0.0 112.963 171.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 69.1 p -57.91 -38.34 75.68 Favored 'General case' 0 C--N 1.35 0.612 0 N-CA-C 117.666 2.469 . . . . 0.0 117.666 -168.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.14 -37.08 81.56 Favored 'General case' 0 C--N 1.352 0.7 0 N-CA-C 115.592 1.701 . . . . 0.0 115.592 -170.227 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.9 t . . . . . 0 C--N 1.348 0.521 0 CA-C-O 122.32 1.057 . . . . 0.0 109.168 174.099 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo . . . . . 0 CA--C 1.516 -0.424 0 CA-C-O 118.854 -0.561 . . . . 0.0 113.422 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 20.6 tt -63.64 -45.06 98.52 Favored 'Isoleucine or valine' 0 C--N 1.348 0.513 0 CA-C-N 119.622 1.101 . . . . 0.0 112.611 174.156 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 74.9 mt -65.15 -43.71 90.93 Favored 'General case' 0 C--N 1.35 0.589 0 C-N-CA 124.862 1.265 . . . . 0.0 112.041 176.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.83 -42.01 98.5 Favored 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 124.54 1.136 . . . . 0.0 113.071 174.281 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 30.7 t -60.3 -42.57 95.81 Favored 'General case' 0 C--N 1.351 0.657 0 O-C-N 121.002 -1.061 . . . . 0.0 112.683 174.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 72.3 mt -66.68 -48.82 68.12 Favored 'General case' 0 C--N 1.346 0.421 0 O-C-N 120.116 -1.615 . . . . 0.0 112.988 171.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.32 -44.08 95.98 Favored 'General case' 0 C--N 1.348 0.503 0 N-CA-C 114.926 1.454 . . . . 0.0 114.926 -176.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.28 -44.15 88.94 Favored 'General case' 0 N--CA 1.448 -0.556 0 O-C-N 120.989 -1.07 . . . . 0.0 113.163 175.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.7 ttmp? -64.81 -37.58 88.1 Favored 'General case' 0 C--N 1.347 0.464 0 C-N-CA 125.477 1.511 . . . . 0.0 114.084 -178.257 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -93.26 8.55 39.82 Favored 'General case' 0 C--N 1.346 0.449 0 O-C-N 121.066 -1.021 . . . . 0.0 112.632 -177.032 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 95.55 85.38 1.7 Allowed Glycine 0 C--N 1.35 1.357 0 O-C-N 120.693 -1.255 . . . . 0.0 114.501 166.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -75.31 -21.59 15.14 Favored 'Trans proline' 0 CA--C 1.514 -0.493 0 CA-C-N 121.762 2.781 . . . . 0.0 111.061 -164.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -62.04 -38.16 87.68 Favored 'General case' 0 C--N 1.349 0.546 0 C-N-CA 123.684 0.794 . . . . 0.0 112.569 172.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.6 mp -63.91 -39.86 95.16 Favored 'General case' 0 C--N 1.35 0.617 0 C-N-CA 125.409 1.484 . . . . 0.0 111.531 177.117 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -64.29 -50.57 67.36 Favored 'General case' 0 C--N 1.351 0.647 0 O-C-N 120.842 -1.161 . . . . 0.0 111.63 167.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.5 t -60.46 -39.18 86.67 Favored 'General case' 0 C--N 1.348 0.528 0 C-N-CA 125.899 1.68 . . . . 0.0 115.233 -172.32 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.1 pp -70.85 -16.09 62.68 Favored 'General case' 0 C--N 1.347 0.495 0 N-CA-C 114.97 1.47 . . . . 0.0 114.97 -171.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.4 t . . . . . 0 C--N 1.352 0.704 0 CA-C-O 122.763 1.268 . . . . 0.0 108.504 169.185 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo . . . . . 0 N--CA 1.461 -0.418 0 CA-C-O 119.033 -0.486 . . . . 0.0 113.037 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 7.9 tp -63.56 -47.67 90.41 Favored 'Isoleucine or valine' 0 C--N 1.347 0.48 0 CA-C-N 119.319 0.963 . . . . 0.0 113.497 175.417 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.7 pp -71.01 -36.97 72.62 Favored 'General case' 0 C--N 1.353 0.719 0 O-C-N 120.002 -1.687 . . . . 0.0 112.013 177.222 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.5 -41.81 97.84 Favored 'General case' 0 C--N 1.351 0.672 0 O-C-N 121.104 -0.997 . . . . 0.0 113.018 173.204 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 42.0 t -59.54 -43.08 93.6 Favored 'General case' 0 C--N 1.351 0.668 0 C-N-CA 124.795 1.238 . . . . 0.0 112.728 174.022 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 83.5 mt -67.55 -48.09 67.97 Favored 'General case' 0 C--N 1.346 0.435 0 O-C-N 120.576 -1.328 . . . . 0.0 113.146 172.33 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.05 -43.64 98.05 Favored 'General case' 0 C--N 1.348 0.528 0 N-CA-C 114.756 1.391 . . . . 0.0 114.756 -176.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.93 -44.18 90.34 Favored 'General case' 0 C--N 1.349 0.553 0 O-C-N 120.986 -1.071 . . . . 0.0 113.045 175.041 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.7 ttpm? -65.98 -37.12 85.16 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 125.579 1.551 . . . . 0.0 114.562 -179.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -93.04 8.38 40.24 Favored 'General case' 0 C--N 1.347 0.477 0 O-C-N 120.77 -1.206 . . . . 0.0 112.727 -177.502 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 97.03 84.54 1.74 Allowed Glycine 0 C--N 1.35 1.315 0 O-C-N 120.698 -1.251 . . . . 0.0 114.297 167.243 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -76.67 -16.43 16.64 Favored 'Trans proline' 0 CA--C 1.514 -0.525 0 CA-C-N 121.827 2.813 . . . . 0.0 110.803 -165.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.9 mmtt -65.21 -32.28 73.88 Favored 'General case' 0 C--N 1.35 0.612 0 O-C-N 121.208 -0.932 . . . . 0.0 113.206 172.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 76.1 mt -62.25 -43.01 99.79 Favored 'General case' 0 C--N 1.352 0.694 0 C-N-CA 124.365 1.066 . . . . 0.0 112.276 174.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 38.0 t80 -63.71 -47.7 80.07 Favored 'General case' 0 C--N 1.353 0.729 0 O-C-N 121.224 -0.922 . . . . 0.0 111.537 169.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 31.2 t -58.93 -39.68 82.32 Favored 'General case' 0 C--N 1.35 0.599 0 C-N-CA 126.028 1.731 . . . . 0.0 114.825 -174.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.4 pp -61.83 -33.52 74.3 Favored 'General case' 0 C--N 1.348 0.529 0 N-CA-C 115.936 1.828 . . . . 0.0 115.936 -175.132 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.8 t . . . . . 0 C--N 1.354 0.778 0 CA-C-O 123.149 1.452 . . . . 0.0 109.43 171.365 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo . . . . . 0 CA--C 1.514 -0.511 0 N-CA-C 114.001 0.731 . . . . 0.0 114.001 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.1 tt -64.86 -48.43 84.35 Favored 'Isoleucine or valine' 0 C--N 1.347 0.48 0 CA-C-N 119.815 1.189 . . . . 0.0 113.599 -178.25 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.1 pp -71.07 -34.63 71.37 Favored 'General case' 0 C--N 1.35 0.596 0 O-C-N 120.151 -1.593 . . . . 0.0 112.481 176.157 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.42 -41.2 96.79 Favored 'General case' 0 C--N 1.353 0.732 0 O-C-N 120.946 -1.096 . . . . 0.0 112.928 171.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 33.2 t -60.09 -42.82 95.45 Favored 'General case' 0 C--N 1.35 0.63 0 C-N-CA 124.436 1.095 . . . . 0.0 112.757 173.465 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.8 mp -66.33 -48.38 70.45 Favored 'General case' 0 C--N 1.347 0.495 0 O-C-N 119.986 -1.696 . . . . 0.0 112.74 171.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.68 -43.35 99.02 Favored 'General case' 0 C--N 1.346 0.426 0 N-CA-C 114.624 1.342 . . . . 0.0 114.624 -176.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.3 -43.31 95.14 Favored 'General case' 0 C--N 1.348 0.523 0 O-C-N 120.976 -1.077 . . . . 0.0 113.218 174.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.8 ttmp? -65.52 -37.49 86.9 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 125.615 1.566 . . . . 0.0 114.216 -179.1 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -93.99 8.56 40.96 Favored 'General case' 0 C--N 1.348 0.502 0 O-C-N 120.973 -1.08 . . . . 0.0 112.936 -176.184 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 98.72 81.62 1.61 Allowed Glycine 0 C--N 1.351 1.378 0 O-C-N 120.591 -1.318 . . . . 0.0 115.031 165.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -79.88 -22.18 7.72 Favored 'Trans proline' 0 CA--C 1.513 -0.572 0 CA-C-N 121.574 2.687 . . . . 0.0 110.284 -165.424 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -65.29 -37.03 85.9 Favored 'General case' 0 C--N 1.347 0.47 0 C-N-CA 124.096 0.959 . . . . 0.0 113.119 173.35 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.5 mp -62.89 -35.69 80.88 Favored 'General case' 0 C--N 1.349 0.587 0 C-N-CA 125.055 1.342 . . . . 0.0 111.109 175.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -69.3 -53.0 21.92 Favored 'General case' 0 C--N 1.35 0.612 0 O-C-N 120.941 -1.099 . . . . 0.0 112.773 166.22 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 53.3 p -61.24 -36.35 79.72 Favored 'General case' 0 C--N 1.353 0.738 0 N-CA-C 115.808 1.781 . . . . 0.0 115.808 -166.483 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.8 pp -57.3 -37.42 72.42 Favored 'General case' 0 C--N 1.35 0.608 0 N-CA-C 115.475 1.657 . . . . 0.0 115.475 -173.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.1 p . . . . . 0 C--N 1.349 0.584 0 O-C-N 120.741 -1.225 . . . . 0.0 110.544 173.554 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo . . . . . 0 CA--C 1.513 -0.564 0 N-CA-C 114.561 0.947 . . . . 0.0 114.561 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.3 tt -64.71 -48.22 85.5 Favored 'Isoleucine or valine' 0 C--N 1.348 0.503 0 CA-C-N 119.972 1.26 . . . . 0.0 113.861 -179.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.0 pp -71.95 -37.44 69.97 Favored 'General case' 0 C--N 1.351 0.653 0 O-C-N 120.217 -1.552 . . . . 0.0 112.049 176.054 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.3 -45.5 92.99 Favored 'General case' 0 C--N 1.351 0.66 0 O-C-N 121.154 -0.966 . . . . 0.0 113.256 175.598 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 23.2 t -63.82 -44.74 92.33 Favored 'General case' 0 C--N 1.35 0.589 0 O-C-N 120.954 -1.091 . . . . 0.0 112.41 174.135 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 35.9 tp -60.07 -45.23 93.59 Favored 'General case' 0 C--N 1.351 0.657 0 O-C-N 120.667 -1.27 . . . . 0.0 112.532 178.066 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.63 -46.87 80.7 Favored 'General case' 0 N--CA 1.445 -0.707 0 C-N-CA 125.179 1.392 . . . . 0.0 113.667 172.556 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.84 -42.23 88.82 Favored 'General case' 0 C--N 1.353 0.735 0 C-N-CA 125.649 1.58 . . . . 0.0 113.12 -178.176 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.53 -45.75 90.86 Favored 'General case' 0 N--CA 1.445 -0.678 0 C-N-CA 127.123 2.169 . . . . 0.0 113.465 171.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -67.58 -45.17 76.31 Favored 'General case' 0 C--N 1.357 0.902 0 O-C-N 120.439 -1.413 . . . . 0.0 112.316 173.174 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 121.53 97.92 1.52 Allowed Glycine 0 C--N 1.344 0.989 0 N-CA-C 115.886 1.114 . . . . 0.0 115.886 172.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_endo -92.43 13.98 1.78 Allowed 'Trans proline' 0 N--CA 1.454 -0.85 0 C-N-CA 122.14 1.893 . . . . 0.0 108.22 173.43 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.5 mptt -58.89 -42.44 89.51 Favored 'General case' 0 C--N 1.35 0.588 0 C-N-CA 125.563 1.545 . . . . 0.0 112.144 -176.015 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.9 mp -64.42 -42.8 95.83 Favored 'General case' 0 C--N 1.351 0.632 0 C-N-CA 124.544 1.137 . . . . 0.0 112.219 171.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -63.69 -40.62 97.26 Favored 'General case' 0 C--N 1.348 0.533 0 C-N-CA 125.249 1.419 . . . . 0.0 112.872 179.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.5 p -64.87 -43.61 92.4 Favored 'General case' 0 C--N 1.349 0.562 0 N-CA-C 114.542 1.312 . . . . 0.0 114.542 172.015 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.5 pp -74.02 -22.86 59.42 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 120.258 1.39 . . . . 0.0 113.893 -178.293 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.7 p . . . . . 0 C--N 1.351 0.654 0 O-C-N 120.461 -1.399 . . . . 0.0 110.003 171.839 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo . . . . . 0 N--CA 1.459 -0.514 0 CA-C-O 118.319 -0.784 . . . . 0.0 112.71 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 7.9 tp -67.59 -45.57 84.78 Favored 'Isoleucine or valine' 0 C--N 1.351 0.634 0 CA-C-N 120.304 1.411 . . . . 0.0 112.683 177.514 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.9 pp -65.32 -39.16 92.11 Favored 'General case' 0 C--N 1.354 0.786 0 O-C-N 120.022 -1.674 . . . . 0.0 112.952 174.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.51 -41.55 98.91 Favored 'General case' 0 C--N 1.353 0.722 0 O-C-N 120.695 -1.253 . . . . 0.0 113.397 173.271 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 34.3 t -59.62 -44.77 93.32 Favored 'General case' 0 C--N 1.349 0.578 0 C-N-CA 124.949 1.299 . . . . 0.0 112.471 175.453 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 85.4 mt -65.94 -47.19 75.47 Favored 'General case' 0 C--N 1.347 0.46 0 O-C-N 121.258 -0.901 . . . . 0.0 113.089 172.335 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.18 -40.74 95.06 Favored 'General case' 0 C--N 1.349 0.57 0 O-C-N 120.607 -1.308 . . . . 0.0 114.098 -179.262 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.2 -44.37 97.4 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 124.281 1.032 . . . . 0.0 113.397 173.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 31.4 mtmm -66.77 -36.33 82.16 Favored 'General case' 0 C--N 1.349 0.555 0 N-CA-C 113.909 1.077 . . . . 0.0 113.909 174.492 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -91.0 11.51 22.67 Favored 'General case' 0 C--N 1.346 0.42 0 O-C-N 120.269 -1.519 . . . . 0.0 113.182 -175.23 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 96.58 86.29 1.78 Allowed Glycine 0 C--N 1.351 1.37 0 C-N-CA 124.545 1.069 . . . . 0.0 114.844 164.51 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -80.67 -42.58 0.13 Allowed 'Trans proline' 0 N--CA 1.459 -0.519 0 CA-C-N 121.733 2.766 . . . . 0.0 111.943 -165.431 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 49.4 tptt -76.18 -19.64 58.24 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-N 120.218 1.372 . . . . 0.0 112.034 177.571 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 87.3 mt -64.4 -36.41 84.06 Favored 'General case' 0 N--CA 1.45 -0.443 0 O-C-N 120.555 -1.341 . . . . 0.0 111.955 167.417 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -69.95 -47.39 62.52 Favored 'General case' 0 C--N 1.352 0.677 0 O-C-N 120.241 -1.537 . . . . 0.0 112.633 166.176 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 82.7 p -92.11 16.98 10.17 Favored 'General case' 0 C--N 1.349 0.557 0 O-C-N 120.071 -1.643 . . . . 0.0 114.673 -167.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.275 3.5 pp -70.09 -45.22 67.41 Favored 'General case' 0 C--N 1.347 0.499 0 O-C-N 119.498 -2.001 . . . . 0.0 113.37 162.113 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 15.7 m . . . . . 0 C--N 1.354 0.763 0 O-C-N 121.042 -1.036 . . . . 0.0 110.99 172.602 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo . . . . . 0 N--CA 1.462 -0.357 0 CA-C-O 118.951 -0.52 . . . . 0.0 113.004 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 20.9 tt -63.31 -47.44 92.02 Favored 'Isoleucine or valine' 0 C--N 1.348 0.542 0 CA-C-N 119.487 1.04 . . . . 0.0 113.738 177.064 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.4 pp -69.6 -35.87 75.7 Favored 'General case' 0 C--N 1.353 0.728 0 O-C-N 120.164 -1.585 . . . . 0.0 112.416 176.229 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.46 -42.09 99.23 Favored 'General case' 0 C--N 1.351 0.643 0 O-C-N 120.885 -1.135 . . . . 0.0 113.095 172.141 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 28.5 t -60.45 -41.96 95.18 Favored 'General case' 0 C--N 1.35 0.629 0 C-N-CA 124.566 1.147 . . . . 0.0 112.643 173.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 82.8 mt -65.93 -49.95 66.13 Favored 'General case' 0 C--N 1.347 0.466 0 O-C-N 120.169 -1.582 . . . . 0.0 113.341 171.15 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.29 -44.37 95.25 Favored 'General case' 0 C--N 1.347 0.477 0 N-CA-C 114.618 1.34 . . . . 0.0 114.618 -176.26 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.02 -43.38 95.78 Favored 'General case' 0 C--N 1.349 0.56 0 O-C-N 121.032 -1.042 . . . . 0.0 113.179 176.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.7 ttmp? -65.94 -38.5 88.78 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 125.64 1.576 . . . . 0.0 114.346 -178.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -77.15 -14.8 59.73 Favored 'General case' 0 C--N 1.349 0.562 0 O-C-N 121.294 -0.878 . . . . 0.0 112.996 177.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 100.99 85.05 1.84 Allowed Glycine 0 C--N 1.35 1.348 0 O-C-N 120.778 -1.201 . . . . 0.0 113.896 170.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -92.12 12.03 2.19 Favored 'Trans proline' 0 CA--C 1.515 -0.47 0 CA-C-N 121.863 2.831 . . . . 0.0 109.81 -160.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 47.7 mtpt -59.76 -44.26 93.94 Favored 'General case' 0 C--N 1.349 0.553 0 N-CA-C 114.158 1.169 . . . . 0.0 114.158 -171.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.4 tt -61.81 -45.74 92.51 Favored 'General case' 0 C--N 1.35 0.611 0 CA-C-O 122.003 0.906 . . . . 0.0 111.973 179.252 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -63.04 -39.51 94.97 Favored 'General case' 0 C--N 1.348 0.527 0 O-C-N 120.928 -1.108 . . . . 0.0 112.563 176.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 51.9 p -64.73 -45.79 85.03 Favored 'General case' 0 C--N 1.351 0.647 0 N-CA-C 115.083 1.512 . . . . 0.0 115.083 173.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.2 pp -76.24 -23.67 54.55 Favored 'General case' 0 C--N 1.356 0.887 0 O-C-N 120.585 -1.322 . . . . 0.0 113.429 -175.369 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.8 p . . . . . 0 C--N 1.35 0.598 0 CA-C-O 123.138 1.447 . . . . 0.0 109.255 173.239 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo . . . . . 0 CA--C 1.515 -0.439 0 CA-C-O 118.946 -0.523 . . . . 0.0 113.271 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.2 tt -63.04 -43.58 99.11 Favored 'Isoleucine or valine' 0 C--N 1.347 0.467 0 CA-C-N 119.284 0.947 . . . . 0.0 112.937 173.376 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 78.3 mt -66.81 -42.53 85.74 Favored 'General case' 0 C--N 1.349 0.566 0 C-N-CA 124.892 1.277 . . . . 0.0 111.888 175.558 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.2 -43.11 99.57 Favored 'General case' 0 N--CA 1.447 -0.622 0 C-N-CA 124.142 0.977 . . . . 0.0 113.289 174.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 19.9 t -61.78 -44.54 96.68 Favored 'General case' 0 C--N 1.349 0.577 0 C-N-CA 124.625 1.17 . . . . 0.0 112.663 173.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.0 tt -62.02 -45.2 94.66 Favored 'General case' 0 C--N 1.35 0.598 0 O-C-N 120.786 -1.196 . . . . 0.0 112.667 174.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.64 -41.83 99.25 Favored 'General case' 0 C--N 1.348 0.527 0 O-C-N 120.63 -1.294 . . . . 0.0 113.572 174.48 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.59 -41.9 98.09 Favored 'General case' 0 C--N 1.349 0.577 0 C-N-CA 124.955 1.302 . . . . 0.0 113.408 174.205 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.9 tptt -58.8 -40.46 84.13 Favored 'General case' 0 C--N 1.347 0.49 0 C-N-CA 126.177 1.791 . . . . 0.0 114.633 -176.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -98.72 5.29 47.71 Favored 'General case' 0 C--N 1.346 0.455 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 -174.087 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 98.34 79.96 1.5 Allowed Glycine 0 C--N 1.35 1.328 0 O-C-N 120.6 -1.313 . . . . 0.0 114.553 170.148 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -78.44 -7.5 15.92 Favored 'Trans proline' 0 CA--C 1.515 -0.458 0 CA-C-N 121.063 2.432 . . . . 0.0 111.191 -166.007 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.7 tmtm? -62.61 -39.69 94.59 Favored 'General case' 0 N--CA 1.447 -0.589 0 O-C-N 121.149 -0.969 . . . . 0.0 112.607 178.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.0 mp -60.21 -44.11 95.42 Favored 'General case' 0 C--N 1.349 0.558 0 C-N-CA 124.401 1.08 . . . . 0.0 111.749 176.195 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -62.91 -41.05 99.32 Favored 'General case' 0 C--N 1.347 0.481 0 C-N-CA 124.527 1.131 . . . . 0.0 112.667 174.314 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 39.9 p -63.58 -44.57 93.67 Favored 'General case' 0 C--N 1.353 0.738 0 N-CA-C 115.221 1.563 . . . . 0.0 115.221 174.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.0 pp -71.56 -35.08 70.48 Favored 'General case' 0 C--N 1.354 0.783 0 O-C-N 120.692 -1.255 . . . . 0.0 113.409 -177.126 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.3 p . . . . . 0 C--N 1.351 0.664 0 O-C-N 120.294 -1.504 . . . . 0.0 111.314 173.002 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 10.1 t80 . . . . . 0 N--CA 1.437 -1.102 0 N-CA-C 107.643 -1.243 . . . . 0.0 107.643 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.7 mp -63.7 136.03 96.54 Favored Pre-proline 0 C--N 1.35 0.59 0 O-C-N 120.739 -1.226 . . . . 0.0 112.457 -175.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -69.3 -34.82 15.25 Favored 'Trans proline' 0 CA--C 1.514 -0.496 0 C-N-CA 122.384 2.056 . . . . 0.0 112.909 -164.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 20.9 tt -64.08 -44.97 97.81 Favored 'Isoleucine or valine' 0 C--N 1.346 0.456 0 CA-C-N 119.161 0.891 . . . . 0.0 112.654 174.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 72.9 mt -67.05 -41.06 87.14 Favored 'General case' 0 N--CA 1.449 -0.518 0 O-C-N 120.438 -1.414 . . . . 0.0 112.15 176.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.12 -41.03 95.95 Favored 'General case' 0 C--N 1.348 0.534 0 C-N-CA 124.929 1.291 . . . . 0.0 113.043 172.45 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 42.4 t -59.55 -43.02 93.64 Favored 'General case' 0 C--N 1.351 0.671 0 O-C-N 120.95 -1.094 . . . . 0.0 112.775 173.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.9 mp -66.69 -48.33 69.61 Favored 'General case' 0 C--N 1.347 0.464 0 O-C-N 120.366 -1.459 . . . . 0.0 112.602 171.041 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.61 -43.47 98.74 Favored 'General case' 0 C--N 1.347 0.469 0 N-CA-C 114.918 1.451 . . . . 0.0 114.918 -176.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.46 -43.73 93.29 Favored 'General case' 0 N--CA 1.448 -0.543 0 O-C-N 120.925 -1.109 . . . . 0.0 113.041 174.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -65.7 -36.78 84.59 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 125.737 1.615 . . . . 0.0 114.345 179.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -93.21 8.59 39.62 Favored 'General case' 0 C--N 1.347 0.467 0 O-C-N 120.775 -1.203 . . . . 0.0 112.95 -177.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 99.7 84.58 1.8 Allowed Glycine 0 C--N 1.35 1.353 0 O-C-N 120.664 -1.272 . . . . 0.0 115.526 164.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -80.88 -14.12 11.3 Favored 'Trans proline' 0 N--CA 1.457 -0.629 0 CA-C-N 121.401 2.601 . . . . 0.0 110.257 -172.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.7 tptp -66.44 -41.56 88.96 Favored 'General case' 0 C--N 1.349 0.544 0 N-CA-C 114.224 1.194 . . . . 0.0 114.224 178.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.76 -40.57 88.28 Favored 'General case' 0 C--N 1.351 0.665 0 O-C-N 121.45 -0.781 . . . . 0.0 112.803 173.532 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -63.39 -46.68 85.34 Favored 'General case' 0 C--N 1.353 0.745 0 O-C-N 120.684 -1.26 . . . . 0.0 112.753 174.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.3 p -64.57 -32.49 74.16 Favored 'General case' 0 C--N 1.345 0.4 0 N-CA-C 115.981 1.845 . . . . 0.0 115.981 -176.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.283 2.3 pp -63.66 -38.71 92.15 Favored 'General case' 0 C--N 1.353 0.734 0 N-CA-C 116.038 1.866 . . . . 0.0 116.038 -175.177 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.1 t -100.95 3.75 10.56 Favored 'Isoleucine or valine' 0 C--N 1.354 0.769 0 O-C-N 120.506 -1.371 . . . . 0.0 109.364 171.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.436 6.1 t 44.89 53.92 7.17 Favored 'General case' 0 C--N 1.353 0.737 0 C-N-CA 128.022 2.529 . . . . 0.0 112.892 -166.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 161.77 128.96 0.0 OUTLIER 'General case' 0 C--N 1.349 0.586 0 C-N-CA 128.958 2.903 . . . . 0.0 106.072 -162.16 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -157.49 -67.4 0.1 Allowed 'General case' 0 C--N 1.35 0.62 0 O-C-N 120.335 -1.478 . . . . 0.0 111.175 161.238 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 25.3 m . . . . . 0 C--N 1.352 0.696 0 C-N-CA 129.011 2.924 . . . . 0.0 118.518 -169.761 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 . . . . . 0 N--CA 1.439 -1.018 0 N-CA-C 107.439 -1.319 . . . . 0.0 107.439 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.3 mm? 53.6 58.92 13.11 Favored Pre-proline 0 C--N 1.354 0.803 0 C-N-CA 125.105 1.362 . . . . 0.0 114.623 178.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_endo -63.43 -33.87 67.76 Favored 'Trans proline' 0 CA--C 1.516 -0.389 0 C-N-CA 123.406 2.737 . . . . 0.0 114.888 -155.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 8.7 tp -64.44 -44.22 97.01 Favored 'Isoleucine or valine' 0 C--N 1.347 0.48 0 CA-C-N 119.954 1.252 . . . . 0.0 112.953 174.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 78.5 mt -67.57 -42.13 83.06 Favored 'General case' 0 C--N 1.349 0.555 0 O-C-N 120.67 -1.269 . . . . 0.0 111.763 175.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.6 -42.13 98.44 Favored 'General case' 0 C--N 1.349 0.552 0 C-N-CA 124.286 1.034 . . . . 0.0 113.14 174.081 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 35.9 t -59.86 -42.55 93.94 Favored 'General case' 0 C--N 1.352 0.691 0 C-N-CA 124.926 1.29 . . . . 0.0 112.525 173.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.2 tt -66.33 -50.93 61.94 Favored 'General case' 0 C--N 1.347 0.487 0 O-C-N 120.781 -1.2 . . . . 0.0 112.347 172.013 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.35 -43.23 99.3 Favored 'General case' 0 C--N 1.348 0.504 0 N-CA-C 114.639 1.348 . . . . 0.0 114.639 -175.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.93 -41.63 99.54 Favored 'General case' 0 C--N 1.348 0.541 0 O-C-N 121.018 -1.051 . . . . 0.0 113.179 175.052 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.9 ttpm? -78.22 -19.27 54.15 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 124.617 1.167 . . . . 0.0 113.654 -175.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -96.49 2.92 52.93 Favored 'General case' 0 C--N 1.347 0.486 0 O-C-N 120.924 -1.11 . . . . 0.0 111.598 177.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 94.69 79.66 1.46 Allowed Glycine 0 C--N 1.35 1.352 0 O-C-N 120.396 -1.44 . . . . 0.0 114.79 168.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -79.13 -14.39 13.44 Favored 'Trans proline' 0 N--CA 1.459 -0.511 0 CA-C-N 121.395 2.598 . . . . 0.0 110.442 -166.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.7 tptt -62.57 -40.24 96.23 Favored 'General case' 0 N--CA 1.447 -0.6 0 O-C-N 121.322 -0.861 . . . . 0.0 112.479 174.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -62.54 -40.7 97.64 Favored 'General case' 0 C--N 1.349 0.566 0 C-N-CA 125.476 1.51 . . . . 0.0 111.845 176.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -62.96 -47.12 84.56 Favored 'General case' 0 C--N 1.351 0.671 0 O-C-N 121.017 -1.052 . . . . 0.0 112.06 171.495 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 59.2 p -57.7 -37.22 73.13 Favored 'General case' 0 C--N 1.351 0.653 0 N-CA-C 116.042 1.868 . . . . 0.0 116.042 -170.17 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.8 pp -72.11 -16.28 62.01 Favored 'General case' 0 C--N 1.348 0.537 0 N-CA-C 115.191 1.552 . . . . 0.0 115.191 -167.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.7 t -125.02 13.1 4.49 Favored 'Isoleucine or valine' 0 C--N 1.351 0.654 0 CA-C-O 122.419 1.104 . . . . 0.0 108.374 166.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.372 3.4 t 44.43 40.24 3.71 Favored 'General case' 0 C--N 1.354 0.796 0 C-N-CA 127.313 2.245 . . . . 0.0 114.725 -168.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.7 tptt 176.72 108.65 0.02 OUTLIER 'General case' 0 C--N 1.351 0.664 0 O-C-N 120.54 -1.35 . . . . 0.0 110.467 -164.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -161.35 165.14 29.45 Favored 'General case' 0 N--CA 1.448 -0.537 0 O-C-N 120.211 -1.555 . . . . 0.0 108.613 167.277 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 11.6 t . . . . . 0 C--N 1.35 0.593 0 C-N-CA 124.237 1.015 . . . . 0.0 113.094 -171.112 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 . . . . . 0 N--CA 1.444 -0.747 0 CA-C-O 121.285 0.564 . . . . 0.0 109.666 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 60.4 mt 51.63 56.77 16.46 Favored Pre-proline 0 C--N 1.349 0.584 0 C-N-CA 126.107 1.763 . . . . 0.0 115.493 178.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -63.97 -34.91 57.68 Favored 'Trans proline' 0 CA--C 1.517 -0.358 0 C-N-CA 123.312 2.675 . . . . 0.0 114.837 -154.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 8.1 tp -64.74 -45.01 96.44 Favored 'Isoleucine or valine' 0 C--N 1.348 0.52 0 CA-C-N 119.849 1.204 . . . . 0.0 112.793 174.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 84.8 mt -66.95 -41.52 86.78 Favored 'General case' 0 C--N 1.349 0.548 0 O-C-N 120.538 -1.351 . . . . 0.0 111.937 176.288 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.29 -42.44 98.66 Favored 'General case' 0 C--N 1.349 0.546 0 C-N-CA 124.366 1.066 . . . . 0.0 112.953 173.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 31.8 t -60.55 -42.32 96.34 Favored 'General case' 0 C--N 1.352 0.681 0 O-C-N 120.849 -1.157 . . . . 0.0 112.714 173.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 77.8 mt -65.35 -48.95 71.21 Favored 'General case' 0 C--N 1.346 0.436 0 O-C-N 120.166 -1.584 . . . . 0.0 113.077 171.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.24 -43.0 99.82 Favored 'General case' 0 C--N 1.347 0.485 0 N-CA-C 114.405 1.261 . . . . 0.0 114.405 -177.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.74 -41.41 99.18 Favored 'General case' 0 N--CA 1.448 -0.566 0 C-N-CA 124.323 1.049 . . . . 0.0 113.236 174.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.8 ttmp? -75.6 -22.38 56.96 Favored 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 124.488 1.115 . . . . 0.0 113.749 -175.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -99.41 6.06 46.14 Favored 'General case' 0 C--N 1.348 0.524 0 O-C-N 120.952 -1.092 . . . . 0.0 112.658 179.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 96.35 79.57 1.47 Allowed Glycine 0 C--N 1.35 1.332 0 O-C-N 120.623 -1.298 . . . . 0.0 114.507 169.113 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -80.36 -17.36 10.3 Favored 'Trans proline' 0 CA--C 1.511 -0.674 0 CA-C-N 121.347 2.574 . . . . 0.0 110.468 -164.098 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.6 tptt -65.9 -32.07 73.37 Favored 'General case' 0 C--N 1.349 0.556 0 O-C-N 121.279 -0.888 . . . . 0.0 112.92 176.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 76.5 mt -61.79 -43.37 98.99 Favored 'General case' 0 C--N 1.35 0.6 0 C-N-CA 124.309 1.043 . . . . 0.0 112.432 173.428 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -65.1 -43.19 92.88 Favored 'General case' 0 C--N 1.349 0.581 0 O-C-N 121.152 -0.968 . . . . 0.0 111.949 172.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 39.6 t -61.92 -43.78 98.14 Favored 'General case' 0 C--N 1.346 0.45 0 N-CA-C 114.889 1.44 . . . . 0.0 114.889 178.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.261 2.3 pp -65.06 -38.13 89.8 Favored 'General case' 0 C--N 1.351 0.655 0 N-CA-C 115.381 1.622 . . . . 0.0 115.381 -174.158 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.9 t -95.01 -3.24 10.63 Favored 'Isoleucine or valine' 0 C--N 1.35 0.616 0 O-C-N 120.721 -1.237 . . . . 0.0 109.674 176.183 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.458 6.2 t 48.73 57.61 6.16 Favored 'General case' 0 C--N 1.352 0.677 0 C-N-CA 127.475 2.31 . . . . 0.0 113.275 -169.458 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 148.11 153.76 0.0 OUTLIER 'General case' 0 C--N 1.355 0.823 0 C-N-CA 130.687 3.595 . . . . 0.0 107.869 -171.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.5 tptp -171.85 -51.56 0.02 OUTLIER 'General case' 0 C--N 1.349 0.576 0 O-C-N 120.814 -1.179 . . . . 0.0 110.259 172.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 21.6 m . . . . . 0 C--O 1.239 0.525 0 N-CA-C 117.046 2.239 . . . . 0.0 117.046 -179.233 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 . . . . . 0 N--CA 1.445 -0.703 0 CA-C-O 121.544 0.688 . . . . 0.0 110.44 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.7 mp -60.16 143.77 88.16 Favored Pre-proline 0 N--CA 1.45 -0.428 0 C-N-CA 125.577 1.551 . . . . 0.0 113.643 -173.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -64.97 -31.25 56.32 Favored 'Trans proline' 0 CA--C 1.516 -0.413 0 C-N-CA 122.723 2.282 . . . . 0.0 113.119 -169.151 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.1 tt -63.78 -47.24 91.82 Favored 'Isoleucine or valine' 0 C--N 1.347 0.464 0 CA-C-N 119.406 1.003 . . . . 0.0 113.698 175.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.7 pp -71.57 -36.67 71.0 Favored 'General case' 0 C--N 1.353 0.734 0 O-C-N 120.072 -1.642 . . . . 0.0 112.011 176.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.78 -41.85 98.24 Favored 'General case' 0 C--N 1.351 0.66 0 O-C-N 121.018 -1.051 . . . . 0.0 113.015 173.162 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 40.8 t -59.59 -42.78 93.33 Favored 'General case' 0 C--N 1.351 0.65 0 C-N-CA 124.859 1.264 . . . . 0.0 112.656 173.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 87.5 mt -66.74 -49.91 64.45 Favored 'General case' 0 C--N 1.346 0.439 0 O-C-N 120.614 -1.303 . . . . 0.0 113.121 171.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.74 -43.57 98.45 Favored 'General case' 0 C--N 1.347 0.494 0 N-CA-C 114.694 1.368 . . . . 0.0 114.694 -175.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.43 -44.39 91.34 Favored 'General case' 0 C--N 1.349 0.556 0 O-C-N 121.085 -1.009 . . . . 0.0 113.034 175.126 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.9 ttpm? -66.03 -37.36 85.67 Favored 'General case' 0 C--N 1.345 0.394 0 C-N-CA 125.925 1.69 . . . . 0.0 114.533 -179.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -76.66 -12.11 59.95 Favored 'General case' 0 C--N 1.347 0.49 0 O-C-N 120.872 -1.143 . . . . 0.0 113.108 175.417 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 97.97 88.18 1.89 Allowed Glycine 0 C--N 1.35 1.335 0 O-C-N 120.897 -1.127 . . . . 0.0 113.531 168.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -90.04 5.58 4.46 Favored 'Trans proline' 0 C--N 1.328 -0.548 0 CA-C-N 122.874 3.337 . . . . 0.0 110.204 -160.063 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.3 tptp -64.21 -40.55 96.3 Favored 'General case' 0 N--CA 1.449 -0.475 0 O-C-N 120.526 -1.359 . . . . 0.0 114.262 -177.325 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -73.95 -20.24 60.43 Favored 'General case' 0 C--N 1.351 0.645 0 O-C-N 120.729 -1.232 . . . . 0.0 113.358 177.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -70.48 -46.87 62.92 Favored 'General case' 0 C--N 1.352 0.694 0 O-C-N 120.874 -1.141 . . . . 0.0 110.895 165.321 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 76.9 p -58.25 -41.58 84.52 Favored 'General case' 0 C--N 1.353 0.747 0 N-CA-C 115.632 1.716 . . . . 0.0 115.632 -172.151 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.6 pp -74.52 -16.38 60.84 Favored 'General case' 0 C--N 1.349 0.582 0 N-CA-C 114.941 1.459 . . . . 0.0 114.941 -170.442 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.5 t -111.23 -0.8 9.61 Favored 'Isoleucine or valine' 0 C--N 1.35 0.623 0 CA-C-O 122.858 1.313 . . . . 0.0 108.38 171.265 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.424 7.0 t 38.02 58.18 1.5 Allowed 'General case' 0 C--N 1.354 0.799 0 C-N-CA 128.034 2.534 . . . . 0.0 113.351 -161.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 167.03 143.05 0.02 OUTLIER 'General case' 0 C--N 1.352 0.681 0 C-N-CA 126.29 1.836 . . . . 0.0 108.821 -161.806 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.23 -49.38 0.02 OUTLIER 'General case' 0 CA--C 1.51 -0.591 0 N-CA-C 107.145 -1.428 . . . . 0.0 107.145 167.025 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 47.7 t . . . . . 0 C--O 1.239 0.529 0 N-CA-C 106.767 -1.568 . . . . 0.0 106.767 155.027 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 10.8 t80 . . . . . 0 N--CA 1.444 -0.761 0 CA-C-O 123.309 1.528 . . . . 0.0 108.817 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 8.5 tt -57.36 -45.0 99.93 Favored Pre-proline 0 CA--C 1.535 0.403 0 CA-C-O 116.274 -1.822 . . . . 0.0 115.467 176.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -68.66 -32.92 22.89 Favored 'Trans proline' 0 C--N 1.345 0.365 0 CA-C-N 126.095 3.212 . . . . 0.0 113.697 -175.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 19.7 tt -67.43 -43.51 87.53 Favored 'Isoleucine or valine' 0 C--N 1.351 0.638 0 CA-C-N 120.453 1.479 . . . . 0.0 112.182 174.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 96.0 mt -61.87 -43.83 98.05 Favored 'General case' 0 C--N 1.352 0.705 0 O-C-N 120.606 -1.309 . . . . 0.0 112.709 173.2 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.82 -40.93 97.0 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 124.542 1.137 . . . . 0.0 113.271 174.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 36.1 t -59.42 -43.8 92.99 Favored 'General case' 0 C--N 1.351 0.64 0 C-N-CA 124.409 1.084 . . . . 0.0 112.722 175.042 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.0 mp -67.62 -49.74 61.49 Favored 'General case' 0 C--N 1.347 0.474 0 O-C-N 120.613 -1.304 . . . . 0.0 112.408 171.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.26 -43.14 99.5 Favored 'General case' 0 C--N 1.348 0.52 0 N-CA-C 114.754 1.39 . . . . 0.0 114.754 -175.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.37 -41.96 98.84 Favored 'General case' 0 N--CA 1.448 -0.554 0 O-C-N 121.025 -1.047 . . . . 0.0 112.987 174.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.2 ttpm? -76.26 -19.94 57.85 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 124.767 1.227 . . . . 0.0 113.599 -175.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -96.18 3.14 53.4 Favored 'General case' 0 C--N 1.347 0.477 0 O-C-N 120.686 -1.259 . . . . 0.0 112.252 176.114 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 93.05 79.68 1.44 Allowed Glycine 0 C--N 1.35 1.32 0 O-C-N 120.604 -1.31 . . . . 0.0 114.661 168.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -79.32 -17.06 11.79 Favored 'Trans proline' 0 CA--C 1.512 -0.581 0 CA-C-N 121.532 2.666 . . . . 0.0 110.183 -164.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.8 tptt -62.83 -38.31 90.27 Favored 'General case' 0 N--CA 1.448 -0.538 0 O-C-N 121.224 -0.922 . . . . 0.0 112.521 174.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.3 mp -63.15 -38.47 91.3 Favored 'General case' 0 C--N 1.35 0.587 0 C-N-CA 125.688 1.595 . . . . 0.0 112.224 176.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -66.22 -44.69 83.1 Favored 'General case' 0 C--N 1.348 0.527 0 C-N-CA 124.532 1.133 . . . . 0.0 112.45 171.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 82.1 p -56.44 -39.79 73.71 Favored 'General case' 0 C--N 1.351 0.648 0 N-CA-C 118.139 2.644 . . . . 0.0 118.139 -163.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.405 ' H ' HD21 ' A' ' 19' ' ' LEU . 0.5 OUTLIER -61.12 -40.11 92.54 Favored 'General case' 0 C--N 1.351 0.643 0 N-CA-C 115.69 1.737 . . . . 0.0 115.69 -168.449 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.5 t -106.07 -2.12 9.92 Favored 'Isoleucine or valine' 0 C--N 1.348 0.514 0 CA-C-O 123.016 1.389 . . . . 0.0 108.577 174.48 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.454 3.7 t 49.92 46.31 24.36 Favored 'General case' 0 C--N 1.35 0.625 0 C-N-CA 128.834 2.854 . . . . 0.0 113.279 -163.585 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.0 mmtp -149.31 135.95 19.46 Favored 'General case' 0 C--N 1.351 0.643 0 O-C-N 120.358 -1.464 . . . . 0.0 107.923 -178.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.6 tptp -162.56 174.37 12.73 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 104.891 -2.263 . . . . 0.0 104.891 162.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 81.1 p . . . . . 0 C--N 1.354 0.79 0 N-CA-C 117.229 2.307 . . . . 0.0 117.229 175.866 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 . . . . . 0 N--CA 1.442 -0.858 0 CA-C-O 122.169 0.985 . . . . 0.0 108.997 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 8.4 tt -58.19 -46.57 99.65 Favored Pre-proline 0 N--CA 1.452 -0.372 0 CA-C-O 116.285 -1.817 . . . . 0.0 115.326 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -71.09 -33.98 10.94 Favored 'Trans proline' 0 N--CA 1.461 -0.393 0 CA-C-N 125.9 3.143 . . . . 0.0 112.871 -175.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 20.0 tt -67.26 -44.45 87.48 Favored 'Isoleucine or valine' 0 C--N 1.35 0.592 0 CA-C-N 120.08 1.309 . . . . 0.0 112.302 175.377 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 88.9 mt -63.09 -42.9 99.7 Favored 'General case' 0 C--N 1.351 0.639 0 O-C-N 120.505 -1.372 . . . . 0.0 112.752 174.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.73 -40.93 96.79 Favored 'General case' 0 C--N 1.35 0.603 0 O-C-N 120.984 -1.073 . . . . 0.0 113.237 173.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 33.0 t -59.93 -43.08 95.14 Favored 'General case' 0 C--N 1.35 0.628 0 O-C-N 120.916 -1.115 . . . . 0.0 112.687 174.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.6 mp -66.74 -48.61 68.62 Favored 'General case' 0 C--N 1.346 0.424 0 O-C-N 120.034 -1.667 . . . . 0.0 112.71 171.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.9 -43.92 97.48 Favored 'General case' 0 C--N 1.347 0.484 0 N-CA-C 114.947 1.462 . . . . 0.0 114.947 -176.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.83 -42.57 94.85 Favored 'General case' 0 N--CA 1.449 -0.522 0 O-C-N 120.962 -1.086 . . . . 0.0 113.244 175.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.7 ttmp? -65.1 -37.39 87.34 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 125.378 1.471 . . . . 0.0 114.188 -179.158 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -94.59 9.21 39.55 Favored 'General case' 0 C--N 1.347 0.498 0 O-C-N 120.952 -1.092 . . . . 0.0 113.347 -175.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 98.99 80.07 1.5 Allowed Glycine 0 C--N 1.351 1.361 0 O-C-N 120.721 -1.237 . . . . 0.0 115.051 166.362 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -80.08 -18.76 9.86 Favored 'Trans proline' 0 CA--C 1.512 -0.623 0 CA-C-N 121.305 2.552 . . . . 0.0 110.874 -164.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 26.5 mmtp -62.19 -37.79 86.65 Favored 'General case' 0 C--N 1.35 0.622 0 N-CA-C 113.264 0.838 . . . . 0.0 113.264 175.095 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 77.6 mt -62.24 -41.1 98.11 Favored 'General case' 0 C--N 1.348 0.533 0 C-N-CA 123.917 0.887 . . . . 0.0 111.604 175.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -66.67 -46.27 76.19 Favored 'General case' 0 C--N 1.35 0.605 0 O-C-N 121.33 -0.856 . . . . 0.0 112.85 171.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 59.6 p -65.34 -42.99 92.31 Favored 'General case' 0 C--N 1.35 0.623 0 N-CA-C 115.37 1.618 . . . . 0.0 115.37 -176.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.5 pp -64.91 -38.94 92.63 Favored 'General case' 0 C--N 1.353 0.756 0 N-CA-C 114.575 1.324 . . . . 0.0 114.575 -174.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.0 t -88.17 -12.88 10.25 Favored 'Isoleucine or valine' 0 C--N 1.35 0.624 0 CA-C-O 122.987 1.375 . . . . 0.0 109.968 174.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.444 6.9 t 48.16 52.45 13.25 Favored 'General case' 0 C--N 1.352 0.694 0 C-N-CA 128.22 2.608 . . . . 0.0 112.191 -166.648 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.8 mtmm 164.62 107.94 0.0 OUTLIER 'General case' 0 C--N 1.358 0.958 0 C-N-CA 128.315 2.646 . . . . 0.0 108.775 -166.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.1 tptp -155.28 52.42 0.6 Allowed 'General case' 0 C--N 1.351 0.651 0 O-C-N 119.719 -1.863 . . . . 0.0 110.929 168.029 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 31.4 p . . . . . 0 C--O 1.239 0.522 0 O-C-N 119.653 -1.904 . . . . 0.0 110.681 169.917 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 . . . . . 0 N--CA 1.445 -0.725 0 CA-C-O 121.565 0.698 . . . . 0.0 110.422 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.7 mp -59.6 144.96 84.05 Favored Pre-proline 0 N--CA 1.45 -0.462 0 C-N-CA 125.909 1.684 . . . . 0.0 113.8 -173.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -64.23 -31.04 64.27 Favored 'Trans proline' 0 CA--C 1.517 -0.372 0 C-N-CA 122.776 2.317 . . . . 0.0 113.274 -169.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.1 tt -63.72 -46.55 94.3 Favored 'Isoleucine or valine' 0 C--N 1.346 0.451 0 N-CA-C 113.684 0.994 . . . . 0.0 113.684 174.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.5 pp -72.18 -35.93 69.11 Favored 'General case' 0 C--N 1.354 0.795 0 O-C-N 120.315 -1.491 . . . . 0.0 111.906 176.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.71 -42.89 99.55 Favored 'General case' 0 C--N 1.35 0.61 0 O-C-N 120.588 -1.32 . . . . 0.0 112.853 172.048 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 33.0 t -60.92 -44.22 97.5 Favored 'General case' 0 C--N 1.351 0.66 0 O-C-N 120.82 -1.175 . . . . 0.0 113.286 175.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . 0.251 3.1 pp -69.76 -42.87 73.29 Favored 'General case' 0 C--N 1.35 0.601 0 O-C-N 119.817 -1.802 . . . . 0.0 113.394 172.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.71 -43.42 98.84 Favored 'General case' 0 C--N 1.35 0.605 0 O-C-N 120.212 -1.555 . . . . 0.0 114.56 179.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.95 -43.54 98.52 Favored 'General case' 0 C--N 1.35 0.606 0 CA-C-O 122.213 1.006 . . . . 0.0 112.892 174.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.8 ttmp? -65.06 -36.21 83.61 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 125.646 1.578 . . . . 0.0 113.677 178.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -94.0 12.96 24.4 Favored 'General case' 0 C--N 1.348 0.52 0 O-C-N 120.543 -1.348 . . . . 0.0 113.377 -177.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 95.96 83.29 1.65 Allowed Glycine 0 C--N 1.351 1.408 0 N-CA-C 115.955 1.142 . . . . 0.0 115.955 162.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -86.58 -26.47 0.99 Allowed 'Trans proline' 0 CA--C 1.512 -0.623 0 CA-C-N 121.668 2.734 . . . . 0.0 110.517 -165.023 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.3 tptt -63.35 -40.76 98.17 Favored 'General case' 0 C--N 1.351 0.648 0 CA-C-N 119.685 1.13 . . . . 0.0 112.205 176.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 83.5 mt -61.7 -40.09 93.78 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 125.132 1.373 . . . . 0.0 112.774 172.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -62.52 -44.8 95.48 Favored 'General case' 0 C--N 1.354 0.801 0 O-C-N 120.898 -1.126 . . . . 0.0 111.783 171.473 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 56.2 p -60.25 -40.31 89.83 Favored 'General case' 0 C--N 1.35 0.618 0 N-CA-C 115.902 1.815 . . . . 0.0 115.902 -174.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.3 pp -65.92 -36.94 84.76 Favored 'General case' 0 C--N 1.351 0.651 0 N-CA-C 115.337 1.606 . . . . 0.0 115.337 -172.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.8 t -97.51 -0.7 10.43 Favored 'Isoleucine or valine' 0 C--N 1.351 0.647 0 CA-C-O 122.79 1.281 . . . . 0.0 109.294 173.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.436 6.5 t 44.61 54.57 6.42 Favored 'General case' 0 C--N 1.353 0.727 0 C-N-CA 128.32 2.648 . . . . 0.0 112.659 -166.521 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 165.62 129.83 0.01 OUTLIER 'General case' 0 C--N 1.351 0.656 0 C-N-CA 127.384 2.274 . . . . 0.0 108.295 -162.557 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 19.5 pttp -161.8 170.03 20.29 Favored 'General case' 0 C--N 1.348 0.505 0 O-C-N 120.73 -1.231 . . . . 0.0 107.862 153.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 63.6 m . . . . . 0 C--N 1.35 0.618 0 N-CA-C 114.525 1.305 . . . . 0.0 114.525 169.211 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 52.5 p90 . . . . . 0 N--CA 1.438 -1.057 0 CA-C-O 121.353 0.597 . . . . 0.0 109.823 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 94.7 mt -120.36 143.31 35.64 Favored Pre-proline 0 C--N 1.348 0.524 0 O-C-N 121.205 -0.934 . . . . 0.0 108.571 178.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -65.23 -31.4 53.63 Favored 'Trans proline' 0 CA--C 1.516 -0.39 0 C-N-CA 123.229 2.619 . . . . 0.0 113.023 -172.188 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.0 tt -62.6 -44.3 99.26 Favored 'Isoleucine or valine' 0 C--N 1.347 0.497 0 CA-C-N 119.371 0.987 . . . . 0.0 112.802 174.132 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 85.8 mt -65.11 -43.18 92.85 Favored 'General case' 0 C--N 1.35 0.592 0 O-C-N 120.576 -1.328 . . . . 0.0 111.838 175.345 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.32 -40.34 93.84 Favored 'General case' 0 C--N 1.35 0.597 0 C-N-CA 124.37 1.068 . . . . 0.0 113.219 174.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 32.2 t -58.83 -43.52 90.71 Favored 'General case' 0 C--N 1.35 0.592 0 C-N-CA 124.455 1.102 . . . . 0.0 113.022 176.106 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.9 mp -69.99 -49.43 51.61 Favored 'General case' 0 C--N 1.347 0.492 0 O-C-N 120.467 -1.396 . . . . 0.0 112.288 171.18 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.84 -43.51 98.61 Favored 'General case' 0 C--N 1.349 0.576 0 N-CA-C 114.927 1.454 . . . . 0.0 114.927 -173.441 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.47 -42.37 78.81 Favored 'General case' 0 N--CA 1.448 -0.546 0 O-C-N 120.738 -1.226 . . . . 0.0 113.652 174.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.9 ttpm? -68.38 -44.33 75.38 Favored 'General case' 0 C--N 1.349 0.547 0 N-CA-C 114.684 1.364 . . . . 0.0 114.684 -176.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -68.37 -38.77 81.72 Favored 'General case' 0 C--N 1.351 0.637 0 CA-C-O 123.555 1.645 . . . . 0.0 110.483 165.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 90.57 139.9 8.23 Favored Glycine 0 C--N 1.341 0.857 0 C-N-CA 126.646 2.07 . . . . 0.0 111.317 174.235 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -89.91 11.01 2.92 Favored 'Trans proline' 0 C--N 1.327 -0.586 0 CA-C-N 121.648 2.724 . . . . 0.0 110.496 -162.287 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.1 mppt? -53.98 -44.07 70.48 Favored 'General case' 0 C--N 1.351 0.631 0 C-N-CA 126.465 1.906 . . . . 0.0 113.706 -173.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -65.31 -39.09 92.04 Favored 'General case' 0 N--CA 1.446 -0.627 0 C-N-CA 124.775 1.23 . . . . 0.0 112.536 179.002 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -74.38 -47.28 35.06 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 126.548 1.939 . . . . 0.0 112.126 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 71.0 p -62.16 -44.76 95.9 Favored 'General case' 0 C--N 1.348 0.537 0 N-CA-C 115.156 1.539 . . . . 0.0 115.156 -167.134 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.8 pp -76.36 -15.09 60.04 Favored 'General case' 0 C--N 1.347 0.46 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 -175.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 25.0 t -108.47 3.84 9.56 Favored 'Isoleucine or valine' 0 C--N 1.352 0.675 0 CA-C-O 122.89 1.328 . . . . 0.0 108.672 174.109 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.382 8.8 t 52.96 1.92 0.02 OUTLIER 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 129.088 2.955 . . . . 0.0 116.605 -176.012 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -155.1 157.39 37.42 Favored 'General case' 0 C--N 1.346 0.434 0 O-C-N 119.252 -2.155 . . . . 0.0 107.453 176.528 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.6 tptt -160.57 171.5 18.84 Favored 'General case' 0 C--N 1.349 0.571 0 N-CA-C 107.564 -1.272 . . . . 0.0 107.564 169.041 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 45.6 t . . . . . 0 CA--C 1.509 -0.621 0 N-CA-C 106.215 -1.772 . . . . 0.0 106.215 169.639 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 32.9 t80 . . . . . 0 N--CA 1.438 -1.074 0 N-CA-C 107.218 -1.401 . . . . 0.0 107.218 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 72.0 mt 72.6 119.0 0.03 OUTLIER Pre-proline 0 C--N 1.352 0.71 0 C-N-CA 126.584 1.954 . . . . 0.0 114.497 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -62.78 -31.67 78.28 Favored 'Trans proline' 0 CA--C 1.517 -0.345 0 C-N-CA 122.976 2.451 . . . . 0.0 113.655 -170.079 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 7.8 tp -63.76 -45.73 96.44 Favored 'Isoleucine or valine' 0 C--N 1.348 0.529 0 CA-C-N 119.546 1.067 . . . . 0.0 113.002 173.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 83.1 mt -67.36 -41.91 84.31 Favored 'General case' 0 C--N 1.349 0.565 0 O-C-N 120.352 -1.467 . . . . 0.0 111.962 176.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.87 -41.8 96.67 Favored 'General case' 0 C--N 1.349 0.553 0 C-N-CA 124.13 0.972 . . . . 0.0 113.114 173.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 39.8 t -59.98 -43.21 95.27 Favored 'General case' 0 C--N 1.352 0.689 0 C-N-CA 124.625 1.17 . . . . 0.0 112.778 173.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 77.6 mt -67.18 -48.69 67.2 Favored 'General case' 0 C--N 1.345 0.409 0 O-C-N 120.395 -1.44 . . . . 0.0 113.02 172.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.03 -43.8 97.68 Favored 'General case' 0 C--N 1.348 0.515 0 N-CA-C 114.741 1.385 . . . . 0.0 114.741 -176.565 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.91 -44.15 90.52 Favored 'General case' 0 C--N 1.349 0.572 0 O-C-N 120.966 -1.084 . . . . 0.0 113.069 175.157 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.1 ttpm? -65.6 -36.61 84.25 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 125.648 1.579 . . . . 0.0 114.606 -179.221 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -92.07 6.0 48.13 Favored 'General case' 0 C--N 1.346 0.452 0 O-C-N 120.773 -1.204 . . . . 0.0 112.48 -177.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 95.84 83.32 1.65 Allowed Glycine 0 C--N 1.351 1.366 0 O-C-N 120.795 -1.19 . . . . 0.0 114.198 166.462 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -74.69 -7.24 19.2 Favored 'Trans proline' 0 C--N 1.331 -0.345 0 CA-C-N 122.037 2.918 . . . . 0.0 111.941 -166.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.2 tptt -62.49 -42.11 99.26 Favored 'General case' 0 N--CA 1.445 -0.69 0 O-C-N 120.964 -1.085 . . . . 0.0 113.611 176.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.3 pp -63.55 -38.47 91.25 Favored 'General case' 0 C--N 1.353 0.738 0 C-N-CA 123.758 0.823 . . . . 0.0 113.033 176.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -62.59 -45.33 93.4 Favored 'General case' 0 C--N 1.35 0.605 0 C-N-CA 125.286 1.434 . . . . 0.0 111.548 171.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 53.5 p -60.45 -41.58 94.36 Favored 'General case' 0 C--N 1.351 0.664 0 N-CA-C 115.666 1.728 . . . . 0.0 115.666 -177.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.4 pp -77.31 -16.27 59.03 Favored 'General case' 0 C--N 1.351 0.653 0 N-CA-C 114.807 1.41 . . . . 0.0 114.807 -166.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.8 t -120.53 23.5 4.82 Favored 'Isoleucine or valine' 0 C--N 1.35 0.604 0 CA-C-O 122.37 1.081 . . . . 0.0 108.099 169.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.39 8.9 t 62.67 -28.26 0.07 Allowed 'General case' 0 C--N 1.352 0.7 0 C-N-CA 129.496 3.118 . . . . 0.0 116.822 179.012 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -148.43 152.58 37.21 Favored 'General case' 0 C--N 1.346 0.418 0 O-C-N 120.106 -1.621 . . . . 0.0 109.162 168.379 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 69.2 mmtt -145.53 165.43 28.64 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 106.248 -1.76 . . . . 0.0 106.248 168.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 34.4 p . . . . . 0 C--N 1.345 0.381 0 O-C-N 121.487 -0.758 . . . . 0.0 109.901 168.631 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 . . . . . 0 N--CA 1.445 -0.722 0 CA-C-O 121.502 0.667 . . . . 0.0 109.98 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.2 mp -60.41 147.39 82.54 Favored Pre-proline 0 N--CA 1.45 -0.442 0 C-N-CA 125.85 1.66 . . . . 0.0 112.32 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_endo -62.99 -32.15 76.39 Favored 'Trans proline' 0 CA--C 1.516 -0.39 0 C-N-CA 122.992 2.461 . . . . 0.0 113.757 -168.28 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.1 tt -62.8 -43.54 98.86 Favored 'Isoleucine or valine' 0 C--N 1.347 0.487 0 CA-C-N 119.376 0.989 . . . . 0.0 113.02 172.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 79.4 mt -66.48 -43.0 86.63 Favored 'General case' 0 C--N 1.351 0.645 0 C-N-CA 125.162 1.385 . . . . 0.0 111.902 176.153 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.31 -44.05 97.41 Favored 'General case' 0 N--CA 1.446 -0.63 0 O-C-N 121.239 -0.913 . . . . 0.0 113.125 174.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.8 t -62.17 -47.83 82.76 Favored 'General case' 0 C--N 1.35 0.609 0 C-N-CA 124.19 0.996 . . . . 0.0 113.064 176.351 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.5 pp -65.71 -38.44 89.2 Favored 'General case' 0 C--N 1.353 0.758 0 O-C-N 119.997 -1.69 . . . . 0.0 113.224 175.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.31 -42.61 99.51 Favored 'General case' 0 C--N 1.35 0.625 0 O-C-N 120.496 -1.377 . . . . 0.0 113.774 173.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.24 -47.31 80.14 Favored 'General case' 0 C--N 1.35 0.607 0 C-N-CA 124.293 1.037 . . . . 0.0 113.331 172.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.0 tmtt? -63.89 -35.9 82.18 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 125.438 1.495 . . . . 0.0 113.805 178.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 -96.75 20.65 10.6 Favored 'General case' 0 C--N 1.346 0.443 0 O-C-N 120.344 -1.473 . . . . 0.0 112.709 176.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 92.28 95.61 1.38 Allowed Glycine 0 C--N 1.352 1.418 0 O-C-N 120.041 -1.662 . . . . 0.0 116.207 162.047 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_endo -96.84 -29.06 0.06 OUTLIER 'Trans proline' 0 CA--C 1.514 -0.513 0 CA-C-N 121.125 2.462 . . . . 0.0 110.652 -167.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.1 tptt -65.5 -34.12 77.53 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-N 120.48 1.491 . . . . 0.0 112.713 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.7 mp -59.87 -40.66 89.39 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 125.4 1.48 . . . . 0.0 112.095 172.01 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 38.0 t80 -65.86 -45.16 83.16 Favored 'General case' 0 C--N 1.356 0.868 0 O-C-N 120.858 -1.151 . . . . 0.0 111.299 169.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 27.0 t -58.25 -41.49 84.31 Favored 'General case' 0 C--N 1.346 0.454 0 N-CA-C 114.895 1.443 . . . . 0.0 114.895 -175.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.252 1.9 pp -63.91 -38.07 89.74 Favored 'General case' 0 C--N 1.35 0.598 0 N-CA-C 115.979 1.844 . . . . 0.0 115.979 -176.36 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.7 t -99.24 -1.21 10.08 Favored 'Isoleucine or valine' 0 C--N 1.352 0.689 0 O-C-N 120.479 -1.388 . . . . 0.0 109.996 176.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.438 6.1 t 45.81 52.98 9.27 Favored 'General case' 0 C--N 1.353 0.748 0 C-N-CA 127.263 2.225 . . . . 0.0 112.071 -162.237 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 171.82 136.18 0.03 OUTLIER 'General case' 0 C--N 1.349 0.565 0 C-N-CA 126.719 2.007 . . . . 0.0 107.346 -158.237 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.1 pttm -159.55 164.85 33.95 Favored 'General case' 0 CA--C 1.511 -0.528 0 O-C-N 120.631 -1.293 . . . . 0.0 108.082 155.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.3 t . . . . . 0 C--N 1.349 0.575 0 CA-C-O 121.89 0.852 . . . . 0.0 111.36 174.708 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 23.2 t80 . . . . . 0 N--CA 1.443 -0.782 0 CA-C-O 122.965 1.364 . . . . 0.0 108.684 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -57.33 -45.1 99.93 Favored Pre-proline 0 CA--C 1.538 0.501 0 CA-C-O 116.462 -1.732 . . . . 0.0 114.803 175.31 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -67.55 -33.2 29.4 Favored 'Trans proline' 0 C--N 1.345 0.36 0 CA-C-N 126.094 3.212 . . . . 0.0 113.916 -177.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 8.9 tp -67.74 -43.12 86.69 Favored 'Isoleucine or valine' 0 C--N 1.352 0.686 0 CA-C-N 120.551 1.523 . . . . 0.0 111.899 174.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 95.7 mt -61.42 -43.74 98.35 Favored 'General case' 0 C--N 1.352 0.7 0 O-C-N 120.384 -1.447 . . . . 0.0 112.88 172.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.73 -41.19 97.31 Favored 'General case' 0 C--N 1.349 0.564 0 C-N-CA 124.514 1.126 . . . . 0.0 113.329 174.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 44.1 t -59.3 -43.93 92.57 Favored 'General case' 0 C--N 1.351 0.668 0 C-N-CA 124.515 1.126 . . . . 0.0 112.617 174.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.9 mp -67.56 -47.72 69.01 Favored 'General case' 0 C--N 1.346 0.428 0 O-C-N 120.411 -1.43 . . . . 0.0 112.649 171.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.83 -43.99 97.33 Favored 'General case' 0 C--N 1.346 0.415 0 N-CA-C 115.015 1.487 . . . . 0.0 115.015 -176.455 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.7 -43.91 91.98 Favored 'General case' 0 C--N 1.35 0.603 0 O-C-N 121.159 -0.963 . . . . 0.0 112.982 175.379 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -64.92 -37.53 87.95 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 125.394 1.477 . . . . 0.0 113.81 178.13 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -94.44 16.59 14.85 Favored 'General case' 0 C--N 1.347 0.486 0 O-C-N 120.411 -1.431 . . . . 0.0 113.491 -177.337 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 95.12 83.58 1.63 Allowed Glycine 0 C--N 1.349 1.258 0 O-C-N 120.603 -1.31 . . . . 0.0 115.787 162.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -89.86 -20.39 1.18 Allowed 'Trans proline' 0 CA--C 1.511 -0.626 0 CA-C-N 120.796 2.298 . . . . 0.0 110.361 -166.523 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.2 tptp -66.74 -41.12 88.35 Favored 'General case' 0 C--N 1.35 0.591 0 O-C-N 120.625 -1.297 . . . . 0.0 113.226 178.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.4 mp -63.54 -44.52 93.93 Favored 'General case' 0 C--N 1.348 0.519 0 C-N-CA 124.883 1.273 . . . . 0.0 111.19 172.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.15 -46.26 91.29 Favored 'General case' 0 C--N 1.35 0.63 0 C-N-CA 124.417 1.087 . . . . 0.0 112.141 178.577 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.2 p -66.91 -41.5 87.02 Favored 'General case' 0 C--N 1.345 0.395 0 N-CA-C 115.444 1.646 . . . . 0.0 115.444 174.404 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.253 2.2 pp -69.48 -35.56 75.7 Favored 'General case' 0 C--N 1.357 0.892 0 O-C-N 119.893 -1.754 . . . . 0.0 114.418 -179.737 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 47.4 t -90.37 -9.2 10.52 Favored 'Isoleucine or valine' 0 C--N 1.35 0.596 0 O-C-N 120.462 -1.399 . . . . 0.0 110.331 179.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.383 3.0 t 55.51 9.67 0.41 Allowed 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 130.316 3.446 . . . . 0.0 115.962 -171.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -159.96 151.18 19.49 Favored 'General case' 0 N--CA 1.441 -0.884 0 N-CA-C 104.931 -2.248 . . . . 0.0 104.931 170.044 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.5 tmmt? -175.72 -49.7 0.01 OUTLIER 'General case' 0 C--N 1.35 0.602 0 CA-C-N 119.028 0.831 . . . . 0.0 108.882 -178.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 46.8 m . . . . . 0 C--N 1.35 0.589 0 N-CA-C 114.727 1.38 . . . . 0.0 114.727 176.307 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 50.8 p90 . . . . . 0 N--CA 1.443 -0.777 0 CA-C-O 121.669 0.747 . . . . 0.0 110.119 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 64.8 mt 57.86 57.98 7.01 Favored Pre-proline 0 C--N 1.349 0.555 0 C-N-CA 126.008 1.723 . . . . 0.0 114.239 -177.223 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo -61.27 -37.86 70.03 Favored 'Trans proline' 0 CA--C 1.513 -0.547 0 C-N-CA 123.703 2.936 . . . . 0.0 115.161 -155.168 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.5 tt -64.14 -44.32 97.57 Favored 'Isoleucine or valine' 0 C--N 1.347 0.464 0 CA-C-N 119.814 1.188 . . . . 0.0 113.207 176.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 85.9 mt -68.11 -42.46 80.22 Favored 'General case' 0 C--N 1.349 0.575 0 O-C-N 120.686 -1.259 . . . . 0.0 111.895 176.221 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.13 -44.08 97.43 Favored 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 124.267 1.027 . . . . 0.0 113.22 175.41 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 21.8 t -62.62 -45.31 93.44 Favored 'General case' 0 C--N 1.35 0.619 0 C-N-CA 124.306 1.043 . . . . 0.0 112.446 173.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.0 tt -60.87 -45.34 94.94 Favored 'General case' 0 C--N 1.351 0.65 0 O-C-N 120.581 -1.324 . . . . 0.0 112.737 176.282 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.62 -44.0 97.39 Favored 'General case' 0 C--N 1.35 0.595 0 C-N-CA 124.339 1.055 . . . . 0.0 113.438 174.145 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.03 -43.46 95.3 Favored 'General case' 0 C--N 1.351 0.661 0 C-N-CA 124.787 1.235 . . . . 0.0 112.635 175.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -72.75 -11.7 60.72 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 126.654 1.982 . . . . 0.0 113.38 179.664 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -104.15 0.04 29.12 Favored 'General case' 0 C--N 1.346 0.455 0 O-C-N 119.273 -2.142 . . . . 0.0 112.54 170.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 89.06 80.02 1.31 Allowed Glycine 0 C--N 1.349 1.255 0 O-C-N 120.688 -1.257 . . . . 0.0 114.463 170.177 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -92.04 8.4 2.97 Favored 'Trans proline' 0 CA--C 1.512 -0.591 0 CA-C-N 121.935 2.867 . . . . 0.0 110.062 -158.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -62.27 -38.9 91.11 Favored 'General case' 0 C--N 1.348 0.501 0 C-N-CA 125.12 1.368 . . . . 0.0 112.629 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.6 mp -62.26 -43.85 97.89 Favored 'General case' 0 C--N 1.348 0.542 0 C-N-CA 123.856 0.863 . . . . 0.0 111.542 175.127 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -65.61 -41.42 92.75 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 124.592 1.157 . . . . 0.0 112.987 176.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 86.4 p -66.28 -43.27 86.87 Favored 'General case' 0 C--N 1.351 0.658 0 N-CA-C 114.716 1.376 . . . . 0.0 114.716 173.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.8 pp -66.5 -32.56 73.99 Favored 'General case' 0 C--N 1.355 0.847 0 CA-C-N 119.836 1.198 . . . . 0.0 113.928 -178.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 22.8 m -88.95 8.59 2.86 Favored 'Isoleucine or valine' 0 C--N 1.351 0.668 0 O-C-N 120.325 -1.484 . . . . 0.0 111.068 174.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.37 10.9 t 44.68 53.92 6.92 Favored 'General case' 0 C--N 1.353 0.761 0 C-N-CA 128.244 2.618 . . . . 0.0 113.651 -178.192 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.7 mtmp? 70.02 -20.37 0.19 Allowed 'General case' 0 C--N 1.348 0.513 0 C-N-CA 126.318 1.847 . . . . 0.0 115.794 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.8 tmtt? -66.1 -41.86 90.06 Favored 'General case' 0 C--N 1.351 0.672 0 C-N-CA 125.358 1.463 . . . . 0.0 114.893 -173.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 9.5 t . . . . . 0 C--O 1.24 0.59 0 N-CA-C 116.031 1.863 . . . . 0.0 116.031 176.087 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 32.2 p90 . . . . . 0 N--CA 1.438 -1.039 0 CA-C-O 121.233 0.539 . . . . 0.0 109.619 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.9 mp -102.39 109.41 60.43 Favored Pre-proline 0 C--N 1.349 0.557 0 O-C-N 120.786 -1.196 . . . . 0.0 108.893 179.013 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -75.73 -28.06 8.34 Favored 'Trans proline' 0 CA--C 1.51 -0.7 0 CA-C-N 122.115 1.791 . . . . 0.0 111.846 -164.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 20.7 tt -62.64 -45.01 99.86 Favored 'Isoleucine or valine' 0 C--N 1.347 0.491 0 CA-C-N 119.204 0.911 . . . . 0.0 112.702 174.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 78.3 mt -66.47 -41.38 89.08 Favored 'General case' 0 C--N 1.35 0.596 0 O-C-N 120.626 -1.296 . . . . 0.0 112.291 175.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.81 -42.37 98.93 Favored 'General case' 0 C--N 1.349 0.555 0 N-CA-C 113.454 0.909 . . . . 0.0 113.454 174.594 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.9 t -61.18 -45.83 93.01 Favored 'General case' 0 C--N 1.35 0.6 0 C-N-CA 124.464 1.106 . . . . 0.0 112.735 174.274 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 85.2 mt -63.32 -43.89 96.5 Favored 'General case' 0 C--N 1.349 0.583 0 O-C-N 120.523 -1.361 . . . . 0.0 113.255 173.507 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.66 -41.74 97.96 Favored 'General case' 0 C--N 1.346 0.454 0 O-C-N 120.529 -1.357 . . . . 0.0 113.642 175.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.57 -45.71 91.7 Favored 'General case' 0 C--N 1.349 0.587 0 C-N-CA 124.451 1.1 . . . . 0.0 113.185 172.318 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -62.96 -38.45 91.12 Favored 'General case' 0 N--CA 1.45 -0.425 0 C-N-CA 125.761 1.624 . . . . 0.0 114.21 178.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -94.29 11.6 29.79 Favored 'General case' 0 C--N 1.348 0.503 0 O-C-N 120.808 -1.183 . . . . 0.0 113.158 -178.061 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 95.31 84.92 1.68 Allowed Glycine 0 C--N 1.35 1.309 0 O-C-N 120.493 -1.379 . . . . 0.0 115.206 164.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -82.32 -27.46 2.29 Favored 'Trans proline' 0 CA--C 1.511 -0.652 0 CA-C-N 121.23 2.515 . . . . 0.0 109.166 -168.405 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.5 tptt -64.45 -39.75 94.42 Favored 'General case' 0 C--N 1.35 0.595 0 O-C-N 121.325 -0.859 . . . . 0.0 112.221 173.161 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 57.7 tp -61.75 -42.01 98.42 Favored 'General case' 0 C--N 1.35 0.626 0 C-N-CA 124.771 1.229 . . . . 0.0 112.338 173.028 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -61.68 -44.65 96.55 Favored 'General case' 0 C--N 1.349 0.552 0 O-C-N 120.615 -1.303 . . . . 0.0 112.963 171.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 69.1 p -57.91 -38.34 75.68 Favored 'General case' 0 C--N 1.35 0.612 0 N-CA-C 117.666 2.469 . . . . 0.0 117.666 -168.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.14 -37.08 81.56 Favored 'General case' 0 C--N 1.352 0.7 0 N-CA-C 115.592 1.701 . . . . 0.0 115.592 -170.227 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.9 t -110.83 2.46 8.95 Favored 'Isoleucine or valine' 0 C--N 1.348 0.521 0 CA-C-O 122.32 1.057 . . . . 0.0 109.168 174.099 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.7 m 52.9 45.44 28.77 Favored 'General case' 0 C--N 1.356 0.865 0 C-N-CA 127.189 2.196 . . . . 0.0 111.673 -168.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.7 ttmt 168.17 93.36 0.0 OUTLIER 'General case' 0 C--N 1.35 0.627 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 -154.517 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -171.13 -49.74 0.02 OUTLIER 'General case' 0 C--N 1.354 0.795 0 O-C-N 119.781 -1.825 . . . . 0.0 113.029 178.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 13.2 t . . . . . 0 C--N 1.347 0.482 0 O-C-N 121.243 -0.911 . . . . 0.0 110.467 178.942 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 . . . . . 0 N--CA 1.442 -0.856 0 CA-C-O 121.906 0.86 . . . . 0.0 108.689 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.6 tt -146.65 -62.76 0.02 OUTLIER Pre-proline 0 N--CA 1.45 -0.442 0 CA-C-O 116.835 -1.555 . . . . 0.0 110.032 178.034 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -66.61 -32.3 38.9 Favored 'Trans proline' 0 C--N 1.347 0.449 0 CA-C-N 125.324 2.937 . . . . 0.0 113.422 -172.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 20.6 tt -63.64 -45.06 98.52 Favored 'Isoleucine or valine' 0 C--N 1.348 0.513 0 CA-C-N 119.622 1.101 . . . . 0.0 112.611 174.156 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 74.9 mt -65.15 -43.71 90.93 Favored 'General case' 0 C--N 1.35 0.589 0 C-N-CA 124.862 1.265 . . . . 0.0 112.041 176.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.83 -42.01 98.5 Favored 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 124.54 1.136 . . . . 0.0 113.071 174.281 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 30.7 t -60.3 -42.57 95.81 Favored 'General case' 0 C--N 1.351 0.657 0 O-C-N 121.002 -1.061 . . . . 0.0 112.683 174.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 72.3 mt -66.68 -48.82 68.12 Favored 'General case' 0 C--N 1.346 0.421 0 O-C-N 120.116 -1.615 . . . . 0.0 112.988 171.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.32 -44.08 95.98 Favored 'General case' 0 C--N 1.348 0.503 0 N-CA-C 114.926 1.454 . . . . 0.0 114.926 -176.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.28 -44.15 88.94 Favored 'General case' 0 N--CA 1.448 -0.556 0 O-C-N 120.989 -1.07 . . . . 0.0 113.163 175.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.7 ttmp? -64.81 -37.58 88.1 Favored 'General case' 0 C--N 1.347 0.464 0 C-N-CA 125.477 1.511 . . . . 0.0 114.084 -178.257 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -93.26 8.55 39.82 Favored 'General case' 0 C--N 1.346 0.449 0 O-C-N 121.066 -1.021 . . . . 0.0 112.632 -177.032 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 95.55 85.38 1.7 Allowed Glycine 0 C--N 1.35 1.357 0 O-C-N 120.693 -1.255 . . . . 0.0 114.501 166.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -75.31 -21.59 15.14 Favored 'Trans proline' 0 CA--C 1.514 -0.493 0 CA-C-N 121.762 2.781 . . . . 0.0 111.061 -164.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -62.04 -38.16 87.68 Favored 'General case' 0 C--N 1.349 0.546 0 C-N-CA 123.684 0.794 . . . . 0.0 112.569 172.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.6 mp -63.91 -39.86 95.16 Favored 'General case' 0 C--N 1.35 0.617 0 C-N-CA 125.409 1.484 . . . . 0.0 111.531 177.117 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -64.29 -50.57 67.36 Favored 'General case' 0 C--N 1.351 0.647 0 O-C-N 120.842 -1.161 . . . . 0.0 111.63 167.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.5 t -60.46 -39.18 86.67 Favored 'General case' 0 C--N 1.348 0.528 0 C-N-CA 125.899 1.68 . . . . 0.0 115.233 -172.32 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.1 pp -70.85 -16.09 62.68 Favored 'General case' 0 C--N 1.347 0.495 0 N-CA-C 114.97 1.47 . . . . 0.0 114.97 -171.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.4 t -114.53 1.14 8.5 Favored 'Isoleucine or valine' 0 C--N 1.352 0.704 0 CA-C-O 122.763 1.268 . . . . 0.0 108.504 169.185 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.428 7.7 t 37.26 58.73 1.21 Allowed 'General case' 0 C--N 1.353 0.748 0 C-N-CA 128.372 2.669 . . . . 0.0 113.544 -161.144 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 167.49 119.13 0.01 OUTLIER 'General case' 0 C--N 1.352 0.713 0 C-N-CA 126.334 1.854 . . . . 0.0 109.341 -162.36 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.64 168.14 22.13 Favored 'General case' 0 N--CA 1.448 -0.531 0 O-C-N 120.407 -1.433 . . . . 0.0 107.226 160.853 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.0 t . . . . . 0 C--N 1.35 0.624 0 C-N-CA 124.609 1.164 . . . . 0.0 112.292 -171.69 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 . . . . . 0 N--CA 1.444 -0.746 0 CA-C-O 121.567 0.699 . . . . 0.0 110.433 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.7 mp -60.2 143.96 88.03 Favored Pre-proline 0 N--CA 1.45 -0.441 0 C-N-CA 125.551 1.541 . . . . 0.0 113.588 -174.192 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -64.83 -31.0 58.19 Favored 'Trans proline' 0 N--CA 1.461 -0.418 0 C-N-CA 122.744 2.296 . . . . 0.0 113.037 -169.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 7.9 tp -63.56 -47.67 90.41 Favored 'Isoleucine or valine' 0 C--N 1.347 0.48 0 CA-C-N 119.319 0.963 . . . . 0.0 113.497 175.417 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.7 pp -71.01 -36.97 72.62 Favored 'General case' 0 C--N 1.353 0.719 0 O-C-N 120.002 -1.687 . . . . 0.0 112.013 177.222 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.5 -41.81 97.84 Favored 'General case' 0 C--N 1.351 0.672 0 O-C-N 121.104 -0.997 . . . . 0.0 113.018 173.204 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 42.0 t -59.54 -43.08 93.6 Favored 'General case' 0 C--N 1.351 0.668 0 C-N-CA 124.795 1.238 . . . . 0.0 112.728 174.022 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 83.5 mt -67.55 -48.09 67.97 Favored 'General case' 0 C--N 1.346 0.435 0 O-C-N 120.576 -1.328 . . . . 0.0 113.146 172.33 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.05 -43.64 98.05 Favored 'General case' 0 C--N 1.348 0.528 0 N-CA-C 114.756 1.391 . . . . 0.0 114.756 -176.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.93 -44.18 90.34 Favored 'General case' 0 C--N 1.349 0.553 0 O-C-N 120.986 -1.071 . . . . 0.0 113.045 175.041 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.7 ttpm? -65.98 -37.12 85.16 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 125.579 1.551 . . . . 0.0 114.562 -179.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -93.04 8.38 40.24 Favored 'General case' 0 C--N 1.347 0.477 0 O-C-N 120.77 -1.206 . . . . 0.0 112.727 -177.502 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 97.03 84.54 1.74 Allowed Glycine 0 C--N 1.35 1.315 0 O-C-N 120.698 -1.251 . . . . 0.0 114.297 167.243 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -76.67 -16.43 16.64 Favored 'Trans proline' 0 CA--C 1.514 -0.525 0 CA-C-N 121.827 2.813 . . . . 0.0 110.803 -165.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.9 mmtt -65.21 -32.28 73.88 Favored 'General case' 0 C--N 1.35 0.612 0 O-C-N 121.208 -0.932 . . . . 0.0 113.206 172.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 76.1 mt -62.25 -43.01 99.79 Favored 'General case' 0 C--N 1.352 0.694 0 C-N-CA 124.365 1.066 . . . . 0.0 112.276 174.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 38.0 t80 -63.71 -47.7 80.07 Favored 'General case' 0 C--N 1.353 0.729 0 O-C-N 121.224 -0.922 . . . . 0.0 111.537 169.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 31.2 t -58.93 -39.68 82.32 Favored 'General case' 0 C--N 1.35 0.599 0 C-N-CA 126.028 1.731 . . . . 0.0 114.825 -174.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.4 pp -61.83 -33.52 74.3 Favored 'General case' 0 C--N 1.348 0.529 0 N-CA-C 115.936 1.828 . . . . 0.0 115.936 -175.132 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.8 t -103.92 -0.21 10.12 Favored 'Isoleucine or valine' 0 C--N 1.354 0.778 0 CA-C-O 123.149 1.452 . . . . 0.0 109.43 171.365 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.431 5.7 t 42.36 53.52 4.51 Favored 'General case' 0 C--N 1.35 0.626 0 C-N-CA 128.445 2.698 . . . . 0.0 112.988 -164.581 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 164.49 109.26 0.0 OUTLIER 'General case' 0 C--N 1.354 0.792 0 C-N-CA 127.277 2.231 . . . . 0.0 109.372 -164.129 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 52.4 mttm -155.27 165.74 35.73 Favored 'General case' 0 C--N 1.347 0.482 0 N-CA-C 106.716 -1.586 . . . . 0.0 106.716 161.453 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 47.6 t . . . . . 0 CA--C 1.508 -0.653 0 N-CA-C 105.827 -1.916 . . . . 0.0 105.827 172.736 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 . . . . . 0 N--CA 1.445 -0.705 0 CA-C-O 121.668 0.747 . . . . 0.0 109.84 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 75.3 mt -114.75 70.93 2.41 Favored Pre-proline 0 C--O 1.235 0.336 0 C-N-CA 124.207 1.003 . . . . 0.0 111.079 -178.347 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -69.87 -35.72 11.81 Favored 'Trans proline' 0 CA--C 1.514 -0.511 0 C-N-CA 122.754 2.303 . . . . 0.0 114.001 -156.369 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.1 tt -64.86 -48.43 84.35 Favored 'Isoleucine or valine' 0 C--N 1.347 0.48 0 CA-C-N 119.815 1.189 . . . . 0.0 113.599 -178.25 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.1 pp -71.07 -34.63 71.37 Favored 'General case' 0 C--N 1.35 0.596 0 O-C-N 120.151 -1.593 . . . . 0.0 112.481 176.157 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.42 -41.2 96.79 Favored 'General case' 0 C--N 1.353 0.732 0 O-C-N 120.946 -1.096 . . . . 0.0 112.928 171.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 33.2 t -60.09 -42.82 95.45 Favored 'General case' 0 C--N 1.35 0.63 0 C-N-CA 124.436 1.095 . . . . 0.0 112.757 173.465 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.8 mp -66.33 -48.38 70.45 Favored 'General case' 0 C--N 1.347 0.495 0 O-C-N 119.986 -1.696 . . . . 0.0 112.74 171.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.68 -43.35 99.02 Favored 'General case' 0 C--N 1.346 0.426 0 N-CA-C 114.624 1.342 . . . . 0.0 114.624 -176.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.3 -43.31 95.14 Favored 'General case' 0 C--N 1.348 0.523 0 O-C-N 120.976 -1.077 . . . . 0.0 113.218 174.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.8 ttmp? -65.52 -37.49 86.9 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 125.615 1.566 . . . . 0.0 114.216 -179.1 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -93.99 8.56 40.96 Favored 'General case' 0 C--N 1.348 0.502 0 O-C-N 120.973 -1.08 . . . . 0.0 112.936 -176.184 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 98.72 81.62 1.61 Allowed Glycine 0 C--N 1.351 1.378 0 O-C-N 120.591 -1.318 . . . . 0.0 115.031 165.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -79.88 -22.18 7.72 Favored 'Trans proline' 0 CA--C 1.513 -0.572 0 CA-C-N 121.574 2.687 . . . . 0.0 110.284 -165.424 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -65.29 -37.03 85.9 Favored 'General case' 0 C--N 1.347 0.47 0 C-N-CA 124.096 0.959 . . . . 0.0 113.119 173.35 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.5 mp -62.89 -35.69 80.88 Favored 'General case' 0 C--N 1.349 0.587 0 C-N-CA 125.055 1.342 . . . . 0.0 111.109 175.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -69.3 -53.0 21.92 Favored 'General case' 0 C--N 1.35 0.612 0 O-C-N 120.941 -1.099 . . . . 0.0 112.773 166.22 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 53.3 p -61.24 -36.35 79.72 Favored 'General case' 0 C--N 1.353 0.738 0 N-CA-C 115.808 1.781 . . . . 0.0 115.808 -166.483 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.8 pp -57.3 -37.42 72.42 Favored 'General case' 0 C--N 1.35 0.608 0 N-CA-C 115.475 1.657 . . . . 0.0 115.475 -173.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.1 p -112.74 -5.98 11.63 Favored 'Isoleucine or valine' 0 C--N 1.349 0.584 0 O-C-N 120.741 -1.225 . . . . 0.0 110.544 173.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.478 2.1 t 54.37 45.15 27.77 Favored 'General case' 0 C--N 1.348 0.529 0 C-N-CA 128.93 2.892 . . . . 0.0 114.912 -170.187 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.1 mptt -158.09 155.17 28.74 Favored 'General case' 0 C--N 1.355 0.834 0 O-C-N 120.512 -1.367 . . . . 0.0 108.457 172.231 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.95 169.84 22.5 Favored 'General case' 0 C--N 1.346 0.452 0 N-CA-C 104.333 -2.469 . . . . 0.0 104.333 163.292 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 47.4 t . . . . . 0 CA--C 1.507 -0.679 0 N-CA-C 105.728 -1.953 . . . . 0.0 105.728 172.238 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 . . . . . 0 N--CA 1.444 -0.753 0 CA-C-O 121.1 0.476 . . . . 0.0 109.924 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 64.1 mt 52.13 55.33 14.96 Favored Pre-proline 0 C--N 1.348 0.535 0 C-N-CA 126.319 1.848 . . . . 0.0 114.947 -178.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -66.05 -35.93 31.95 Favored 'Trans proline' 0 CA--C 1.513 -0.564 0 C-N-CA 122.803 2.336 . . . . 0.0 114.561 -150.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.3 tt -64.71 -48.22 85.5 Favored 'Isoleucine or valine' 0 C--N 1.348 0.503 0 CA-C-N 119.972 1.26 . . . . 0.0 113.861 -179.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.0 pp -71.95 -37.44 69.97 Favored 'General case' 0 C--N 1.351 0.653 0 O-C-N 120.217 -1.552 . . . . 0.0 112.049 176.054 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.3 -45.5 92.99 Favored 'General case' 0 C--N 1.351 0.66 0 O-C-N 121.154 -0.966 . . . . 0.0 113.256 175.598 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 23.2 t -63.82 -44.74 92.33 Favored 'General case' 0 C--N 1.35 0.589 0 O-C-N 120.954 -1.091 . . . . 0.0 112.41 174.135 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 35.9 tp -60.07 -45.23 93.59 Favored 'General case' 0 C--N 1.351 0.657 0 O-C-N 120.667 -1.27 . . . . 0.0 112.532 178.066 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.63 -46.87 80.7 Favored 'General case' 0 N--CA 1.445 -0.707 0 C-N-CA 125.179 1.392 . . . . 0.0 113.667 172.556 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.84 -42.23 88.82 Favored 'General case' 0 C--N 1.353 0.735 0 C-N-CA 125.649 1.58 . . . . 0.0 113.12 -178.176 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.53 -45.75 90.86 Favored 'General case' 0 N--CA 1.445 -0.678 0 C-N-CA 127.123 2.169 . . . . 0.0 113.465 171.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -67.58 -45.17 76.31 Favored 'General case' 0 C--N 1.357 0.902 0 O-C-N 120.439 -1.413 . . . . 0.0 112.316 173.174 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 121.53 97.92 1.52 Allowed Glycine 0 C--N 1.344 0.989 0 N-CA-C 115.886 1.114 . . . . 0.0 115.886 172.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_endo -92.43 13.98 1.78 Allowed 'Trans proline' 0 N--CA 1.454 -0.85 0 C-N-CA 122.14 1.893 . . . . 0.0 108.22 173.43 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.5 mptt -58.89 -42.44 89.51 Favored 'General case' 0 C--N 1.35 0.588 0 C-N-CA 125.563 1.545 . . . . 0.0 112.144 -176.015 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.9 mp -64.42 -42.8 95.83 Favored 'General case' 0 C--N 1.351 0.632 0 C-N-CA 124.544 1.137 . . . . 0.0 112.219 171.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -63.69 -40.62 97.26 Favored 'General case' 0 C--N 1.348 0.533 0 C-N-CA 125.249 1.419 . . . . 0.0 112.872 179.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.5 p -64.87 -43.61 92.4 Favored 'General case' 0 C--N 1.349 0.562 0 N-CA-C 114.542 1.312 . . . . 0.0 114.542 172.015 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.5 pp -74.02 -22.86 59.42 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 120.258 1.39 . . . . 0.0 113.893 -178.293 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.7 p -93.27 7.61 5.64 Favored 'Isoleucine or valine' 0 C--N 1.351 0.654 0 O-C-N 120.461 -1.399 . . . . 0.0 110.003 171.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.381 9.1 t 44.89 52.34 8.14 Favored 'General case' 0 C--N 1.352 0.709 0 C-N-CA 128.24 2.616 . . . . 0.0 114.464 179.514 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.7 mtmm 77.7 -15.65 0.73 Allowed 'General case' 0 C--N 1.349 0.572 0 C-N-CA 127.181 2.192 . . . . 0.0 114.415 176.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.4 tmtt? -66.31 -41.61 89.46 Favored 'General case' 0 C--N 1.351 0.647 0 N-CA-C 115.027 1.491 . . . . 0.0 115.027 -171.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.7 t . . . . . 0 C--O 1.241 0.617 0 N-CA-C 115.898 1.814 . . . . 0.0 115.898 175.212 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 . . . . . 0 N--CA 1.441 -0.89 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 8.2 tt -58.82 -46.26 99.56 Favored Pre-proline 0 C--N 1.345 0.411 0 CA-C-O 116.806 -1.568 . . . . 0.0 115.071 178.504 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -70.62 -34.18 12.14 Favored 'Trans proline' 0 N--CA 1.459 -0.514 0 CA-C-N 125.522 3.008 . . . . 0.0 112.71 -177.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 7.9 tp -67.59 -45.57 84.78 Favored 'Isoleucine or valine' 0 C--N 1.351 0.634 0 CA-C-N 120.304 1.411 . . . . 0.0 112.683 177.514 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.9 pp -65.32 -39.16 92.11 Favored 'General case' 0 C--N 1.354 0.786 0 O-C-N 120.022 -1.674 . . . . 0.0 112.952 174.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.51 -41.55 98.91 Favored 'General case' 0 C--N 1.353 0.722 0 O-C-N 120.695 -1.253 . . . . 0.0 113.397 173.271 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 34.3 t -59.62 -44.77 93.32 Favored 'General case' 0 C--N 1.349 0.578 0 C-N-CA 124.949 1.299 . . . . 0.0 112.471 175.453 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 85.4 mt -65.94 -47.19 75.47 Favored 'General case' 0 C--N 1.347 0.46 0 O-C-N 121.258 -0.901 . . . . 0.0 113.089 172.335 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.18 -40.74 95.06 Favored 'General case' 0 C--N 1.349 0.57 0 O-C-N 120.607 -1.308 . . . . 0.0 114.098 -179.262 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.2 -44.37 97.4 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 124.281 1.032 . . . . 0.0 113.397 173.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 31.4 mtmm -66.77 -36.33 82.16 Favored 'General case' 0 C--N 1.349 0.555 0 N-CA-C 113.909 1.077 . . . . 0.0 113.909 174.492 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -91.0 11.51 22.67 Favored 'General case' 0 C--N 1.346 0.42 0 O-C-N 120.269 -1.519 . . . . 0.0 113.182 -175.23 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 96.58 86.29 1.78 Allowed Glycine 0 C--N 1.351 1.37 0 C-N-CA 124.545 1.069 . . . . 0.0 114.844 164.51 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -80.67 -42.58 0.13 Allowed 'Trans proline' 0 N--CA 1.459 -0.519 0 CA-C-N 121.733 2.766 . . . . 0.0 111.943 -165.431 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 49.4 tptt -76.18 -19.64 58.24 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-N 120.218 1.372 . . . . 0.0 112.034 177.571 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 87.3 mt -64.4 -36.41 84.06 Favored 'General case' 0 N--CA 1.45 -0.443 0 O-C-N 120.555 -1.341 . . . . 0.0 111.955 167.417 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -69.95 -47.39 62.52 Favored 'General case' 0 C--N 1.352 0.677 0 O-C-N 120.241 -1.537 . . . . 0.0 112.633 166.176 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 82.7 p -92.11 16.98 10.17 Favored 'General case' 0 C--N 1.349 0.557 0 O-C-N 120.071 -1.643 . . . . 0.0 114.673 -167.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.275 3.5 pp -70.09 -45.22 67.41 Favored 'General case' 0 C--N 1.347 0.499 0 O-C-N 119.498 -2.001 . . . . 0.0 113.37 162.113 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 15.7 m -119.13 9.02 6.71 Favored 'Isoleucine or valine' 0 C--N 1.354 0.763 0 O-C-N 121.042 -1.036 . . . . 0.0 110.99 172.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.467 4.1 t 53.3 59.82 4.14 Favored 'General case' 0 C--N 1.35 0.594 0 C-N-CA 126.868 2.067 . . . . 0.0 113.618 -173.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.0 mtmm 171.02 124.24 0.02 OUTLIER 'General case' 0 C--N 1.352 0.695 0 C-N-CA 127.758 2.423 . . . . 0.0 107.881 -171.536 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.4 pttp -161.45 170.51 19.86 Favored 'General case' 0 C--N 1.347 0.496 0 O-C-N 121.093 -1.004 . . . . 0.0 108.419 158.313 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 57.4 m . . . . . 0 C--N 1.352 0.682 0 N-CA-C 114.301 1.223 . . . . 0.0 114.301 168.417 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 53.5 p90 . . . . . 0 N--CA 1.437 -1.083 0 CA-C-O 121.36 0.6 . . . . 0.0 109.899 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.9 mp -119.63 145.24 38.7 Favored Pre-proline 0 C--N 1.348 0.521 0 N-CA-C 107.066 -1.457 . . . . 0.0 107.066 176.212 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -65.16 -31.69 53.74 Favored 'Trans proline' 0 N--CA 1.462 -0.357 0 C-N-CA 122.892 2.395 . . . . 0.0 113.004 -172.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 20.9 tt -63.31 -47.44 92.02 Favored 'Isoleucine or valine' 0 C--N 1.348 0.542 0 CA-C-N 119.487 1.04 . . . . 0.0 113.738 177.064 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.4 pp -69.6 -35.87 75.7 Favored 'General case' 0 C--N 1.353 0.728 0 O-C-N 120.164 -1.585 . . . . 0.0 112.416 176.229 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.46 -42.09 99.23 Favored 'General case' 0 C--N 1.351 0.643 0 O-C-N 120.885 -1.135 . . . . 0.0 113.095 172.141 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 28.5 t -60.45 -41.96 95.18 Favored 'General case' 0 C--N 1.35 0.629 0 C-N-CA 124.566 1.147 . . . . 0.0 112.643 173.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 82.8 mt -65.93 -49.95 66.13 Favored 'General case' 0 C--N 1.347 0.466 0 O-C-N 120.169 -1.582 . . . . 0.0 113.341 171.15 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.29 -44.37 95.25 Favored 'General case' 0 C--N 1.347 0.477 0 N-CA-C 114.618 1.34 . . . . 0.0 114.618 -176.26 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.02 -43.38 95.78 Favored 'General case' 0 C--N 1.349 0.56 0 O-C-N 121.032 -1.042 . . . . 0.0 113.179 176.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.7 ttmp? -65.94 -38.5 88.78 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 125.64 1.576 . . . . 0.0 114.346 -178.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -77.15 -14.8 59.73 Favored 'General case' 0 C--N 1.349 0.562 0 O-C-N 121.294 -0.878 . . . . 0.0 112.996 177.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 100.99 85.05 1.84 Allowed Glycine 0 C--N 1.35 1.348 0 O-C-N 120.778 -1.201 . . . . 0.0 113.896 170.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -92.12 12.03 2.19 Favored 'Trans proline' 0 CA--C 1.515 -0.47 0 CA-C-N 121.863 2.831 . . . . 0.0 109.81 -160.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 47.7 mtpt -59.76 -44.26 93.94 Favored 'General case' 0 C--N 1.349 0.553 0 N-CA-C 114.158 1.169 . . . . 0.0 114.158 -171.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.4 tt -61.81 -45.74 92.51 Favored 'General case' 0 C--N 1.35 0.611 0 CA-C-O 122.003 0.906 . . . . 0.0 111.973 179.252 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -63.04 -39.51 94.97 Favored 'General case' 0 C--N 1.348 0.527 0 O-C-N 120.928 -1.108 . . . . 0.0 112.563 176.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 51.9 p -64.73 -45.79 85.03 Favored 'General case' 0 C--N 1.351 0.647 0 N-CA-C 115.083 1.512 . . . . 0.0 115.083 173.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.2 pp -76.24 -23.67 54.55 Favored 'General case' 0 C--N 1.356 0.887 0 O-C-N 120.585 -1.322 . . . . 0.0 113.429 -175.369 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.8 p -90.78 1.75 7.98 Favored 'Isoleucine or valine' 0 C--N 1.35 0.598 0 CA-C-O 123.138 1.447 . . . . 0.0 109.255 173.239 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.408 10.8 t 47.36 57.09 6.15 Favored 'General case' 0 C--N 1.352 0.717 0 C-N-CA 129.448 3.099 . . . . 0.0 113.723 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.7 mtmp? 72.12 106.67 0.07 Allowed 'General case' 0 C--N 1.349 0.575 0 C-N-CA 126.233 1.813 . . . . 0.0 111.477 179.524 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.3 mtmm 160.24 161.5 0.01 OUTLIER 'General case' 0 C--N 1.347 0.491 0 C-N-CA 129.297 3.039 . . . . 0.0 103.229 -173.452 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 26.8 p . . . . . 0 C--N 1.349 0.561 0 C-N-CA 125.367 1.467 . . . . 0.0 112.878 -173.225 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 10.3 t80 . . . . . 0 N--CA 1.44 -0.932 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 78.0 mt -60.68 145.06 88.54 Favored Pre-proline 0 C--N 1.348 0.537 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 -178.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -64.88 -31.57 56.68 Favored 'Trans proline' 0 CA--C 1.515 -0.439 0 C-N-CA 122.982 2.455 . . . . 0.0 113.271 -169.228 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.2 tt -63.04 -43.58 99.11 Favored 'Isoleucine or valine' 0 C--N 1.347 0.467 0 CA-C-N 119.284 0.947 . . . . 0.0 112.937 173.376 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 78.3 mt -66.81 -42.53 85.74 Favored 'General case' 0 C--N 1.349 0.566 0 C-N-CA 124.892 1.277 . . . . 0.0 111.888 175.558 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.2 -43.11 99.57 Favored 'General case' 0 N--CA 1.447 -0.622 0 C-N-CA 124.142 0.977 . . . . 0.0 113.289 174.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 19.9 t -61.78 -44.54 96.68 Favored 'General case' 0 C--N 1.349 0.577 0 C-N-CA 124.625 1.17 . . . . 0.0 112.663 173.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.0 tt -62.02 -45.2 94.66 Favored 'General case' 0 C--N 1.35 0.598 0 O-C-N 120.786 -1.196 . . . . 0.0 112.667 174.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.64 -41.83 99.25 Favored 'General case' 0 C--N 1.348 0.527 0 O-C-N 120.63 -1.294 . . . . 0.0 113.572 174.48 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.59 -41.9 98.09 Favored 'General case' 0 C--N 1.349 0.577 0 C-N-CA 124.955 1.302 . . . . 0.0 113.408 174.205 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.9 tptt -58.8 -40.46 84.13 Favored 'General case' 0 C--N 1.347 0.49 0 C-N-CA 126.177 1.791 . . . . 0.0 114.633 -176.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -98.72 5.29 47.71 Favored 'General case' 0 C--N 1.346 0.455 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 -174.087 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 98.34 79.96 1.5 Allowed Glycine 0 C--N 1.35 1.328 0 O-C-N 120.6 -1.313 . . . . 0.0 114.553 170.148 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -78.44 -7.5 15.92 Favored 'Trans proline' 0 CA--C 1.515 -0.458 0 CA-C-N 121.063 2.432 . . . . 0.0 111.191 -166.007 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.7 tmtm? -62.61 -39.69 94.59 Favored 'General case' 0 N--CA 1.447 -0.589 0 O-C-N 121.149 -0.969 . . . . 0.0 112.607 178.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.0 mp -60.21 -44.11 95.42 Favored 'General case' 0 C--N 1.349 0.558 0 C-N-CA 124.401 1.08 . . . . 0.0 111.749 176.195 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -62.91 -41.05 99.32 Favored 'General case' 0 C--N 1.347 0.481 0 C-N-CA 124.527 1.131 . . . . 0.0 112.667 174.314 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 39.9 p -63.58 -44.57 93.67 Favored 'General case' 0 C--N 1.353 0.738 0 N-CA-C 115.221 1.563 . . . . 0.0 115.221 174.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.0 pp -71.56 -35.08 70.48 Favored 'General case' 0 C--N 1.354 0.783 0 O-C-N 120.692 -1.255 . . . . 0.0 113.409 -177.126 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.3 p -76.32 -17.69 15.12 Favored 'Isoleucine or valine' 0 C--N 1.351 0.664 0 O-C-N 120.294 -1.504 . . . . 0.0 111.314 173.002 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.476 6.6 t 59.56 52.69 5.52 Favored 'General case' 0 C--N 1.353 0.748 0 C-N-CA 130.572 3.549 . . . . 0.0 114.611 -177.559 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.17 59.2 3.16 Favored 'General case' 0 C--N 1.36 1.053 0 CA-C-O 123.01 1.386 . . . . 0.0 111.303 173.25 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -159.77 154.9 24.98 Favored 'General case' 0 N--CA 1.445 -0.683 0 N-CA-C 106.143 -1.799 . . . . 0.0 106.143 -161.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 45.4 m . . . . . 0 C--N 1.348 0.53 0 C-N-CA 124.721 1.208 . . . . 0.0 112.747 -174.926 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo . . . . . 0 CA--C 1.514 -0.496 0 CA-C-O 119.288 -0.38 . . . . 0.0 112.909 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 20.9 tt -64.08 -44.97 97.81 Favored 'Isoleucine or valine' 0 C--N 1.346 0.456 0 CA-C-N 119.161 0.891 . . . . 0.0 112.654 174.089 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 72.9 mt -67.05 -41.06 87.14 Favored 'General case' 0 N--CA 1.449 -0.518 0 O-C-N 120.438 -1.414 . . . . 0.0 112.15 176.782 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.12 -41.03 95.95 Favored 'General case' 0 C--N 1.348 0.534 0 C-N-CA 124.929 1.291 . . . . 0.0 113.043 172.45 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 42.4 t -59.55 -43.02 93.64 Favored 'General case' 0 C--N 1.351 0.671 0 O-C-N 120.95 -1.094 . . . . 0.0 112.775 173.709 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.9 mp -66.69 -48.33 69.61 Favored 'General case' 0 C--N 1.347 0.464 0 O-C-N 120.366 -1.459 . . . . 0.0 112.602 171.041 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.61 -43.47 98.74 Favored 'General case' 0 C--N 1.347 0.469 0 N-CA-C 114.918 1.451 . . . . 0.0 114.918 -176.676 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.46 -43.73 93.29 Favored 'General case' 0 N--CA 1.448 -0.543 0 O-C-N 120.925 -1.109 . . . . 0.0 113.041 174.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -65.7 -36.78 84.59 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 125.737 1.615 . . . . 0.0 114.345 179.52 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -93.21 8.59 39.62 Favored 'General case' 0 C--N 1.347 0.467 0 O-C-N 120.775 -1.203 . . . . 0.0 112.95 -177.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 99.7 84.58 1.8 Allowed Glycine 0 C--N 1.35 1.353 0 O-C-N 120.664 -1.272 . . . . 0.0 115.526 164.633 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -80.88 -14.12 11.3 Favored 'Trans proline' 0 N--CA 1.457 -0.629 0 CA-C-N 121.401 2.601 . . . . 0.0 110.257 -172.138 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.7 tptp -66.44 -41.56 88.96 Favored 'General case' 0 C--N 1.349 0.544 0 N-CA-C 114.224 1.194 . . . . 0.0 114.224 178.824 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.76 -40.57 88.28 Favored 'General case' 0 C--N 1.351 0.665 0 O-C-N 121.45 -0.781 . . . . 0.0 112.803 173.532 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -63.39 -46.68 85.34 Favored 'General case' 0 C--N 1.353 0.745 0 O-C-N 120.684 -1.26 . . . . 0.0 112.753 174.763 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.3 p -64.57 -32.49 74.16 Favored 'General case' 0 C--N 1.345 0.4 0 N-CA-C 115.981 1.845 . . . . 0.0 115.981 -176.611 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.283 2.3 pp -63.66 -38.71 92.15 Favored 'General case' 0 C--N 1.353 0.734 0 N-CA-C 116.038 1.866 . . . . 0.0 116.038 -175.177 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.1 t . . . . . 0 C--N 1.354 0.769 0 O-C-N 120.506 -1.371 . . . . 0.0 109.364 171.957 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_endo . . . . . 0 CA--C 1.516 -0.389 0 N-CA-C 114.888 1.072 . . . . 0.0 114.888 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 8.7 tp -64.44 -44.22 97.01 Favored 'Isoleucine or valine' 0 C--N 1.347 0.48 0 CA-C-N 119.954 1.252 . . . . 0.0 112.953 174.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 78.5 mt -67.57 -42.13 83.06 Favored 'General case' 0 C--N 1.349 0.555 0 O-C-N 120.67 -1.269 . . . . 0.0 111.763 175.772 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.6 -42.13 98.44 Favored 'General case' 0 C--N 1.349 0.552 0 C-N-CA 124.286 1.034 . . . . 0.0 113.14 174.081 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 35.9 t -59.86 -42.55 93.94 Favored 'General case' 0 C--N 1.352 0.691 0 C-N-CA 124.926 1.29 . . . . 0.0 112.525 173.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.2 tt -66.33 -50.93 61.94 Favored 'General case' 0 C--N 1.347 0.487 0 O-C-N 120.781 -1.2 . . . . 0.0 112.347 172.013 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.35 -43.23 99.3 Favored 'General case' 0 C--N 1.348 0.504 0 N-CA-C 114.639 1.348 . . . . 0.0 114.639 -175.619 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.93 -41.63 99.54 Favored 'General case' 0 C--N 1.348 0.541 0 O-C-N 121.018 -1.051 . . . . 0.0 113.179 175.052 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.9 ttpm? -78.22 -19.27 54.15 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 124.617 1.167 . . . . 0.0 113.654 -175.764 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -96.49 2.92 52.93 Favored 'General case' 0 C--N 1.347 0.486 0 O-C-N 120.924 -1.11 . . . . 0.0 111.598 177.297 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 94.69 79.66 1.46 Allowed Glycine 0 C--N 1.35 1.352 0 O-C-N 120.396 -1.44 . . . . 0.0 114.79 168.466 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -79.13 -14.39 13.44 Favored 'Trans proline' 0 N--CA 1.459 -0.511 0 CA-C-N 121.395 2.598 . . . . 0.0 110.442 -166.475 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.7 tptt -62.57 -40.24 96.23 Favored 'General case' 0 N--CA 1.447 -0.6 0 O-C-N 121.322 -0.861 . . . . 0.0 112.479 174.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -62.54 -40.7 97.64 Favored 'General case' 0 C--N 1.349 0.566 0 C-N-CA 125.476 1.51 . . . . 0.0 111.845 176.291 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -62.96 -47.12 84.56 Favored 'General case' 0 C--N 1.351 0.671 0 O-C-N 121.017 -1.052 . . . . 0.0 112.06 171.495 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 59.2 p -57.7 -37.22 73.13 Favored 'General case' 0 C--N 1.351 0.653 0 N-CA-C 116.042 1.868 . . . . 0.0 116.042 -170.17 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.8 pp -72.11 -16.28 62.01 Favored 'General case' 0 C--N 1.348 0.537 0 N-CA-C 115.191 1.552 . . . . 0.0 115.191 -167.665 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.7 t . . . . . 0 C--N 1.351 0.654 0 CA-C-O 122.419 1.104 . . . . 0.0 108.374 166.787 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo . . . . . 0 CA--C 1.517 -0.358 0 N-CA-C 114.837 1.053 . . . . 0.0 114.837 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 8.1 tp -64.74 -45.01 96.44 Favored 'Isoleucine or valine' 0 C--N 1.348 0.52 0 CA-C-N 119.849 1.204 . . . . 0.0 112.793 174.66 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 84.8 mt -66.95 -41.52 86.78 Favored 'General case' 0 C--N 1.349 0.548 0 O-C-N 120.538 -1.351 . . . . 0.0 111.937 176.288 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.29 -42.44 98.66 Favored 'General case' 0 C--N 1.349 0.546 0 C-N-CA 124.366 1.066 . . . . 0.0 112.953 173.241 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 31.8 t -60.55 -42.32 96.34 Favored 'General case' 0 C--N 1.352 0.681 0 O-C-N 120.849 -1.157 . . . . 0.0 112.714 173.599 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 77.8 mt -65.35 -48.95 71.21 Favored 'General case' 0 C--N 1.346 0.436 0 O-C-N 120.166 -1.584 . . . . 0.0 113.077 171.369 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.24 -43.0 99.82 Favored 'General case' 0 C--N 1.347 0.485 0 N-CA-C 114.405 1.261 . . . . 0.0 114.405 -177.81 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.74 -41.41 99.18 Favored 'General case' 0 N--CA 1.448 -0.566 0 C-N-CA 124.323 1.049 . . . . 0.0 113.236 174.468 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.8 ttmp? -75.6 -22.38 56.96 Favored 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 124.488 1.115 . . . . 0.0 113.749 -175.423 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -99.41 6.06 46.14 Favored 'General case' 0 C--N 1.348 0.524 0 O-C-N 120.952 -1.092 . . . . 0.0 112.658 179.59 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 96.35 79.57 1.47 Allowed Glycine 0 C--N 1.35 1.332 0 O-C-N 120.623 -1.298 . . . . 0.0 114.507 169.113 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -80.36 -17.36 10.3 Favored 'Trans proline' 0 CA--C 1.511 -0.674 0 CA-C-N 121.347 2.574 . . . . 0.0 110.468 -164.098 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.6 tptt -65.9 -32.07 73.37 Favored 'General case' 0 C--N 1.349 0.556 0 O-C-N 121.279 -0.888 . . . . 0.0 112.92 176.505 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 76.5 mt -61.79 -43.37 98.99 Favored 'General case' 0 C--N 1.35 0.6 0 C-N-CA 124.309 1.043 . . . . 0.0 112.432 173.428 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -65.1 -43.19 92.88 Favored 'General case' 0 C--N 1.349 0.581 0 O-C-N 121.152 -0.968 . . . . 0.0 111.949 172.033 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 39.6 t -61.92 -43.78 98.14 Favored 'General case' 0 C--N 1.346 0.45 0 N-CA-C 114.889 1.44 . . . . 0.0 114.889 178.209 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.261 2.3 pp -65.06 -38.13 89.8 Favored 'General case' 0 C--N 1.351 0.655 0 N-CA-C 115.381 1.622 . . . . 0.0 115.381 -174.158 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.9 t . . . . . 0 C--N 1.35 0.616 0 O-C-N 120.721 -1.237 . . . . 0.0 109.674 176.183 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo . . . . . 0 CA--C 1.516 -0.413 0 CA-C-O 118.999 -0.501 . . . . 0.0 113.119 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.1 tt -63.78 -47.24 91.82 Favored 'Isoleucine or valine' 0 C--N 1.347 0.464 0 CA-C-N 119.406 1.003 . . . . 0.0 113.698 175.75 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.7 pp -71.57 -36.67 71.0 Favored 'General case' 0 C--N 1.353 0.734 0 O-C-N 120.072 -1.642 . . . . 0.0 112.011 176.825 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.78 -41.85 98.24 Favored 'General case' 0 C--N 1.351 0.66 0 O-C-N 121.018 -1.051 . . . . 0.0 113.015 173.162 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 40.8 t -59.59 -42.78 93.33 Favored 'General case' 0 C--N 1.351 0.65 0 C-N-CA 124.859 1.264 . . . . 0.0 112.656 173.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 87.5 mt -66.74 -49.91 64.45 Favored 'General case' 0 C--N 1.346 0.439 0 O-C-N 120.614 -1.303 . . . . 0.0 113.121 171.669 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.74 -43.57 98.45 Favored 'General case' 0 C--N 1.347 0.494 0 N-CA-C 114.694 1.368 . . . . 0.0 114.694 -175.822 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.43 -44.39 91.34 Favored 'General case' 0 C--N 1.349 0.556 0 O-C-N 121.085 -1.009 . . . . 0.0 113.034 175.126 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.9 ttpm? -66.03 -37.36 85.67 Favored 'General case' 0 C--N 1.345 0.394 0 C-N-CA 125.925 1.69 . . . . 0.0 114.533 -179.519 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -76.66 -12.11 59.95 Favored 'General case' 0 C--N 1.347 0.49 0 O-C-N 120.872 -1.143 . . . . 0.0 113.108 175.417 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 97.97 88.18 1.89 Allowed Glycine 0 C--N 1.35 1.335 0 O-C-N 120.897 -1.127 . . . . 0.0 113.531 168.608 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -90.04 5.58 4.46 Favored 'Trans proline' 0 C--N 1.328 -0.548 0 CA-C-N 122.874 3.337 . . . . 0.0 110.204 -160.063 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.3 tptp -64.21 -40.55 96.3 Favored 'General case' 0 N--CA 1.449 -0.475 0 O-C-N 120.526 -1.359 . . . . 0.0 114.262 -177.325 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -73.95 -20.24 60.43 Favored 'General case' 0 C--N 1.351 0.645 0 O-C-N 120.729 -1.232 . . . . 0.0 113.358 177.121 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -70.48 -46.87 62.92 Favored 'General case' 0 C--N 1.352 0.694 0 O-C-N 120.874 -1.141 . . . . 0.0 110.895 165.321 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 76.9 p -58.25 -41.58 84.52 Favored 'General case' 0 C--N 1.353 0.747 0 N-CA-C 115.632 1.716 . . . . 0.0 115.632 -172.151 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.6 pp -74.52 -16.38 60.84 Favored 'General case' 0 C--N 1.349 0.582 0 N-CA-C 114.941 1.459 . . . . 0.0 114.941 -170.442 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.5 t . . . . . 0 C--N 1.35 0.623 0 CA-C-O 122.858 1.313 . . . . 0.0 108.38 171.265 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo . . . . . 0 CA--C 1.518 -0.325 0 CA-C-O 118.354 -0.769 . . . . 0.0 113.697 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 19.7 tt -67.43 -43.51 87.53 Favored 'Isoleucine or valine' 0 C--N 1.351 0.638 0 CA-C-N 120.453 1.479 . . . . 0.0 112.182 174.282 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 96.0 mt -61.87 -43.83 98.05 Favored 'General case' 0 C--N 1.352 0.705 0 O-C-N 120.606 -1.309 . . . . 0.0 112.709 173.2 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.82 -40.93 97.0 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 124.542 1.137 . . . . 0.0 113.271 174.558 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 36.1 t -59.42 -43.8 92.99 Favored 'General case' 0 C--N 1.351 0.64 0 C-N-CA 124.409 1.084 . . . . 0.0 112.722 175.042 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.0 mp -67.62 -49.74 61.49 Favored 'General case' 0 C--N 1.347 0.474 0 O-C-N 120.613 -1.304 . . . . 0.0 112.408 171.731 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.26 -43.14 99.5 Favored 'General case' 0 C--N 1.348 0.52 0 N-CA-C 114.754 1.39 . . . . 0.0 114.754 -175.321 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.37 -41.96 98.84 Favored 'General case' 0 N--CA 1.448 -0.554 0 O-C-N 121.025 -1.047 . . . . 0.0 112.987 174.787 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.2 ttpm? -76.26 -19.94 57.85 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 124.767 1.227 . . . . 0.0 113.599 -175.62 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -96.18 3.14 53.4 Favored 'General case' 0 C--N 1.347 0.477 0 O-C-N 120.686 -1.259 . . . . 0.0 112.252 176.114 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 93.05 79.68 1.44 Allowed Glycine 0 C--N 1.35 1.32 0 O-C-N 120.604 -1.31 . . . . 0.0 114.661 168.575 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -79.32 -17.06 11.79 Favored 'Trans proline' 0 CA--C 1.512 -0.581 0 CA-C-N 121.532 2.666 . . . . 0.0 110.183 -164.808 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.8 tptt -62.83 -38.31 90.27 Favored 'General case' 0 N--CA 1.448 -0.538 0 O-C-N 121.224 -0.922 . . . . 0.0 112.521 174.197 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.3 mp -63.15 -38.47 91.3 Favored 'General case' 0 C--N 1.35 0.587 0 C-N-CA 125.688 1.595 . . . . 0.0 112.224 176.11 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -66.22 -44.69 83.1 Favored 'General case' 0 C--N 1.348 0.527 0 C-N-CA 124.532 1.133 . . . . 0.0 112.45 171.22 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 82.1 p -56.44 -39.79 73.71 Favored 'General case' 0 C--N 1.351 0.648 0 N-CA-C 118.139 2.644 . . . . 0.0 118.139 -163.694 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.478 ' H ' HD23 ' A' ' 19' ' ' LEU . 0.5 OUTLIER -61.12 -40.11 92.54 Favored 'General case' 0 C--N 1.351 0.643 0 N-CA-C 115.69 1.737 . . . . 0.0 115.69 -168.449 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.5 t . . . . . 0 C--N 1.348 0.514 0 CA-C-O 123.016 1.389 . . . . 0.0 108.577 174.48 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo . . . . . 0 N--CA 1.461 -0.393 0 CA-C-O 118.59 -0.671 . . . . 0.0 112.871 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 20.0 tt -67.26 -44.45 87.48 Favored 'Isoleucine or valine' 0 C--N 1.35 0.592 0 CA-C-N 120.08 1.309 . . . . 0.0 112.302 175.377 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 88.9 mt -63.09 -42.9 99.7 Favored 'General case' 0 C--N 1.351 0.639 0 O-C-N 120.505 -1.372 . . . . 0.0 112.752 174.215 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.73 -40.93 96.79 Favored 'General case' 0 C--N 1.35 0.603 0 O-C-N 120.984 -1.073 . . . . 0.0 113.237 173.48 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 33.0 t -59.93 -43.08 95.14 Favored 'General case' 0 C--N 1.35 0.628 0 O-C-N 120.916 -1.115 . . . . 0.0 112.687 174.52 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.6 mp -66.74 -48.61 68.62 Favored 'General case' 0 C--N 1.346 0.424 0 O-C-N 120.034 -1.667 . . . . 0.0 112.71 171.457 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.9 -43.92 97.48 Favored 'General case' 0 C--N 1.347 0.484 0 N-CA-C 114.947 1.462 . . . . 0.0 114.947 -176.312 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.83 -42.57 94.85 Favored 'General case' 0 N--CA 1.449 -0.522 0 O-C-N 120.962 -1.086 . . . . 0.0 113.244 175.628 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.7 ttmp? -65.1 -37.39 87.34 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 125.378 1.471 . . . . 0.0 114.188 -179.158 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -94.59 9.21 39.55 Favored 'General case' 0 C--N 1.347 0.498 0 O-C-N 120.952 -1.092 . . . . 0.0 113.347 -175.433 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 98.99 80.07 1.5 Allowed Glycine 0 C--N 1.351 1.361 0 O-C-N 120.721 -1.237 . . . . 0.0 115.051 166.362 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -80.08 -18.76 9.86 Favored 'Trans proline' 0 CA--C 1.512 -0.623 0 CA-C-N 121.305 2.552 . . . . 0.0 110.874 -164.204 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 26.5 mmtp -62.19 -37.79 86.65 Favored 'General case' 0 C--N 1.35 0.622 0 N-CA-C 113.264 0.838 . . . . 0.0 113.264 175.095 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 77.6 mt -62.24 -41.1 98.11 Favored 'General case' 0 C--N 1.348 0.533 0 C-N-CA 123.917 0.887 . . . . 0.0 111.604 175.661 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -66.67 -46.27 76.19 Favored 'General case' 0 C--N 1.35 0.605 0 O-C-N 121.33 -0.856 . . . . 0.0 112.85 171.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 59.6 p -65.34 -42.99 92.31 Favored 'General case' 0 C--N 1.35 0.623 0 N-CA-C 115.37 1.618 . . . . 0.0 115.37 -176.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.5 pp -64.91 -38.94 92.63 Favored 'General case' 0 C--N 1.353 0.756 0 N-CA-C 114.575 1.324 . . . . 0.0 114.575 -174.585 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.0 t . . . . . 0 C--N 1.35 0.624 0 CA-C-O 122.987 1.375 . . . . 0.0 109.968 174.835 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo . . . . . 0 CA--C 1.517 -0.372 0 CA-C-O 119.103 -0.457 . . . . 0.0 113.274 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.1 tt -63.72 -46.55 94.3 Favored 'Isoleucine or valine' 0 C--N 1.346 0.451 0 N-CA-C 113.684 0.994 . . . . 0.0 113.684 174.844 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.5 pp -72.18 -35.93 69.11 Favored 'General case' 0 C--N 1.354 0.795 0 O-C-N 120.315 -1.491 . . . . 0.0 111.906 176.755 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.71 -42.89 99.55 Favored 'General case' 0 C--N 1.35 0.61 0 O-C-N 120.588 -1.32 . . . . 0.0 112.853 172.048 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 33.0 t -60.92 -44.22 97.5 Favored 'General case' 0 C--N 1.351 0.66 0 O-C-N 120.82 -1.175 . . . . 0.0 113.286 175.771 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . 0.251 3.1 pp -69.76 -42.87 73.29 Favored 'General case' 0 C--N 1.35 0.601 0 O-C-N 119.817 -1.802 . . . . 0.0 113.394 172.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.71 -43.42 98.84 Favored 'General case' 0 C--N 1.35 0.605 0 O-C-N 120.212 -1.555 . . . . 0.0 114.56 179.684 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.95 -43.54 98.52 Favored 'General case' 0 C--N 1.35 0.606 0 CA-C-O 122.213 1.006 . . . . 0.0 112.892 174.498 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.8 ttmp? -65.06 -36.21 83.61 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 125.646 1.578 . . . . 0.0 113.677 178.346 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -94.0 12.96 24.4 Favored 'General case' 0 C--N 1.348 0.52 0 O-C-N 120.543 -1.348 . . . . 0.0 113.377 -177.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 95.96 83.29 1.65 Allowed Glycine 0 C--N 1.351 1.408 0 N-CA-C 115.955 1.142 . . . . 0.0 115.955 162.58 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -86.58 -26.47 0.99 Allowed 'Trans proline' 0 CA--C 1.512 -0.623 0 CA-C-N 121.668 2.734 . . . . 0.0 110.517 -165.023 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.3 tptt -63.35 -40.76 98.17 Favored 'General case' 0 C--N 1.351 0.648 0 CA-C-N 119.685 1.13 . . . . 0.0 112.205 176.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 83.5 mt -61.7 -40.09 93.78 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 125.132 1.373 . . . . 0.0 112.774 172.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -62.52 -44.8 95.48 Favored 'General case' 0 C--N 1.354 0.801 0 O-C-N 120.898 -1.126 . . . . 0.0 111.783 171.473 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 56.2 p -60.25 -40.31 89.83 Favored 'General case' 0 C--N 1.35 0.618 0 N-CA-C 115.902 1.815 . . . . 0.0 115.902 -174.494 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.3 pp -65.92 -36.94 84.76 Favored 'General case' 0 C--N 1.351 0.651 0 N-CA-C 115.337 1.606 . . . . 0.0 115.337 -172.562 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.8 t . . . . . 0 C--N 1.351 0.647 0 CA-C-O 122.79 1.281 . . . . 0.0 109.294 173.351 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo . . . . . 0 CA--C 1.516 -0.39 0 CA-C-O 119.077 -0.468 . . . . 0.0 113.023 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.0 tt -62.6 -44.3 99.26 Favored 'Isoleucine or valine' 0 C--N 1.347 0.497 0 CA-C-N 119.371 0.987 . . . . 0.0 112.802 174.132 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 85.8 mt -65.11 -43.18 92.85 Favored 'General case' 0 C--N 1.35 0.592 0 O-C-N 120.576 -1.328 . . . . 0.0 111.838 175.345 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.32 -40.34 93.84 Favored 'General case' 0 C--N 1.35 0.597 0 C-N-CA 124.37 1.068 . . . . 0.0 113.219 174.598 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 32.2 t -58.83 -43.52 90.71 Favored 'General case' 0 C--N 1.35 0.592 0 C-N-CA 124.455 1.102 . . . . 0.0 113.022 176.106 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.9 mp -69.99 -49.43 51.61 Favored 'General case' 0 C--N 1.347 0.492 0 O-C-N 120.467 -1.396 . . . . 0.0 112.288 171.18 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.84 -43.51 98.61 Favored 'General case' 0 C--N 1.349 0.576 0 N-CA-C 114.927 1.454 . . . . 0.0 114.927 -173.441 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.47 -42.37 78.81 Favored 'General case' 0 N--CA 1.448 -0.546 0 O-C-N 120.738 -1.226 . . . . 0.0 113.652 174.627 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.9 ttpm? -68.38 -44.33 75.38 Favored 'General case' 0 C--N 1.349 0.547 0 N-CA-C 114.684 1.364 . . . . 0.0 114.684 -176.738 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -68.37 -38.77 81.72 Favored 'General case' 0 C--N 1.351 0.637 0 CA-C-O 123.555 1.645 . . . . 0.0 110.483 165.781 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 90.57 139.9 8.23 Favored Glycine 0 C--N 1.341 0.857 0 C-N-CA 126.646 2.07 . . . . 0.0 111.317 174.235 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -89.91 11.01 2.92 Favored 'Trans proline' 0 C--N 1.327 -0.586 0 CA-C-N 121.648 2.724 . . . . 0.0 110.496 -162.287 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.442 ' H ' ' HD3' ' A' ' 15' ' ' LYS . 1.1 mppt? -53.98 -44.07 70.48 Favored 'General case' 0 C--N 1.351 0.631 0 C-N-CA 126.465 1.906 . . . . 0.0 113.706 -173.781 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.474 HD22 ' H ' ' A' ' 16' ' ' LEU . 2.2 mm? -65.31 -39.09 92.04 Favored 'General case' 0 N--CA 1.446 -0.627 0 C-N-CA 124.775 1.23 . . . . 0.0 112.536 179.002 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -74.38 -47.28 35.06 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 126.548 1.939 . . . . 0.0 112.126 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 71.0 p -62.16 -44.76 95.9 Favored 'General case' 0 C--N 1.348 0.537 0 N-CA-C 115.156 1.539 . . . . 0.0 115.156 -167.134 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.8 pp -76.36 -15.09 60.04 Favored 'General case' 0 C--N 1.347 0.46 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 -175.742 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 25.0 t . . . . . 0 C--N 1.352 0.675 0 CA-C-O 122.89 1.328 . . . . 0.0 108.672 174.109 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo . . . . . 0 CA--C 1.517 -0.345 0 N-CA-C 113.655 0.598 . . . . 0.0 113.655 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 7.8 tp -63.76 -45.73 96.44 Favored 'Isoleucine or valine' 0 C--N 1.348 0.529 0 CA-C-N 119.546 1.067 . . . . 0.0 113.002 173.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 83.1 mt -67.36 -41.91 84.31 Favored 'General case' 0 C--N 1.349 0.565 0 O-C-N 120.352 -1.467 . . . . 0.0 111.962 176.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.87 -41.8 96.67 Favored 'General case' 0 C--N 1.349 0.553 0 C-N-CA 124.13 0.972 . . . . 0.0 113.114 173.596 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 39.8 t -59.98 -43.21 95.27 Favored 'General case' 0 C--N 1.352 0.689 0 C-N-CA 124.625 1.17 . . . . 0.0 112.778 173.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 77.6 mt -67.18 -48.69 67.2 Favored 'General case' 0 C--N 1.345 0.409 0 O-C-N 120.395 -1.44 . . . . 0.0 113.02 172.458 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.03 -43.8 97.68 Favored 'General case' 0 C--N 1.348 0.515 0 N-CA-C 114.741 1.385 . . . . 0.0 114.741 -176.565 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.91 -44.15 90.52 Favored 'General case' 0 C--N 1.349 0.572 0 O-C-N 120.966 -1.084 . . . . 0.0 113.069 175.157 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.1 ttpm? -65.6 -36.61 84.25 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 125.648 1.579 . . . . 0.0 114.606 -179.221 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -92.07 6.0 48.13 Favored 'General case' 0 C--N 1.346 0.452 0 O-C-N 120.773 -1.204 . . . . 0.0 112.48 -177.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 95.84 83.32 1.65 Allowed Glycine 0 C--N 1.351 1.366 0 O-C-N 120.795 -1.19 . . . . 0.0 114.198 166.462 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -74.69 -7.24 19.2 Favored 'Trans proline' 0 C--N 1.331 -0.345 0 CA-C-N 122.037 2.918 . . . . 0.0 111.941 -166.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.2 tptt -62.49 -42.11 99.26 Favored 'General case' 0 N--CA 1.445 -0.69 0 O-C-N 120.964 -1.085 . . . . 0.0 113.611 176.78 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.3 pp -63.55 -38.47 91.25 Favored 'General case' 0 C--N 1.353 0.738 0 C-N-CA 123.758 0.823 . . . . 0.0 113.033 176.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -62.59 -45.33 93.4 Favored 'General case' 0 C--N 1.35 0.605 0 C-N-CA 125.286 1.434 . . . . 0.0 111.548 171.732 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 53.5 p -60.45 -41.58 94.36 Favored 'General case' 0 C--N 1.351 0.664 0 N-CA-C 115.666 1.728 . . . . 0.0 115.666 -177.465 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.4 pp -77.31 -16.27 59.03 Favored 'General case' 0 C--N 1.351 0.653 0 N-CA-C 114.807 1.41 . . . . 0.0 114.807 -166.627 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.8 t . . . . . 0 C--N 1.35 0.604 0 CA-C-O 122.37 1.081 . . . . 0.0 108.099 169.391 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_endo . . . . . 0 CA--C 1.516 -0.39 0 N-CA-C 113.757 0.637 . . . . 0.0 113.757 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.1 tt -62.8 -43.54 98.86 Favored 'Isoleucine or valine' 0 C--N 1.347 0.487 0 CA-C-N 119.376 0.989 . . . . 0.0 113.02 172.466 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 79.4 mt -66.48 -43.0 86.63 Favored 'General case' 0 C--N 1.351 0.645 0 C-N-CA 125.162 1.385 . . . . 0.0 111.902 176.153 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.31 -44.05 97.41 Favored 'General case' 0 N--CA 1.446 -0.63 0 O-C-N 121.239 -0.913 . . . . 0.0 113.125 174.226 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.8 t -62.17 -47.83 82.76 Favored 'General case' 0 C--N 1.35 0.609 0 C-N-CA 124.19 0.996 . . . . 0.0 113.064 176.351 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.5 pp -65.71 -38.44 89.2 Favored 'General case' 0 C--N 1.353 0.758 0 O-C-N 119.997 -1.69 . . . . 0.0 113.224 175.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.31 -42.61 99.51 Favored 'General case' 0 C--N 1.35 0.625 0 O-C-N 120.496 -1.377 . . . . 0.0 113.774 173.686 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.24 -47.31 80.14 Favored 'General case' 0 C--N 1.35 0.607 0 C-N-CA 124.293 1.037 . . . . 0.0 113.331 172.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.0 tmtt? -63.89 -35.9 82.18 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 125.438 1.495 . . . . 0.0 113.805 178.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 -96.75 20.65 10.6 Favored 'General case' 0 C--N 1.346 0.443 0 O-C-N 120.344 -1.473 . . . . 0.0 112.709 176.739 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 92.28 95.61 1.38 Allowed Glycine 0 C--N 1.352 1.418 0 O-C-N 120.041 -1.662 . . . . 0.0 116.207 162.047 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_endo -96.84 -29.06 0.06 OUTLIER 'Trans proline' 0 CA--C 1.514 -0.513 0 CA-C-N 121.125 2.462 . . . . 0.0 110.652 -167.069 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.1 tptt -65.5 -34.12 77.53 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-N 120.48 1.491 . . . . 0.0 112.713 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.7 mp -59.87 -40.66 89.39 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 125.4 1.48 . . . . 0.0 112.095 172.01 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 38.0 t80 -65.86 -45.16 83.16 Favored 'General case' 0 C--N 1.356 0.868 0 O-C-N 120.858 -1.151 . . . . 0.0 111.299 169.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 27.0 t -58.25 -41.49 84.31 Favored 'General case' 0 C--N 1.346 0.454 0 N-CA-C 114.895 1.443 . . . . 0.0 114.895 -175.54 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.252 1.9 pp -63.91 -38.07 89.74 Favored 'General case' 0 C--N 1.35 0.598 0 N-CA-C 115.979 1.844 . . . . 0.0 115.979 -176.36 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.7 t . . . . . 0 C--N 1.352 0.689 0 O-C-N 120.479 -1.388 . . . . 0.0 109.996 176.227 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo . . . . . 0 N--CA 1.462 -0.335 0 CA-C-O 118.323 -0.782 . . . . 0.0 113.916 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 8.9 tp -67.74 -43.12 86.69 Favored 'Isoleucine or valine' 0 C--N 1.352 0.686 0 CA-C-N 120.551 1.523 . . . . 0.0 111.899 174.526 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 95.7 mt -61.42 -43.74 98.35 Favored 'General case' 0 C--N 1.352 0.7 0 O-C-N 120.384 -1.447 . . . . 0.0 112.88 172.747 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.73 -41.19 97.31 Favored 'General case' 0 C--N 1.349 0.564 0 C-N-CA 124.514 1.126 . . . . 0.0 113.329 174.481 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 44.1 t -59.3 -43.93 92.57 Favored 'General case' 0 C--N 1.351 0.668 0 C-N-CA 124.515 1.126 . . . . 0.0 112.617 174.565 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.9 mp -67.56 -47.72 69.01 Favored 'General case' 0 C--N 1.346 0.428 0 O-C-N 120.411 -1.43 . . . . 0.0 112.649 171.76 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.83 -43.99 97.33 Favored 'General case' 0 C--N 1.346 0.415 0 N-CA-C 115.015 1.487 . . . . 0.0 115.015 -176.455 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.7 -43.91 91.98 Favored 'General case' 0 C--N 1.35 0.603 0 O-C-N 121.159 -0.963 . . . . 0.0 112.982 175.379 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -64.92 -37.53 87.95 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 125.394 1.477 . . . . 0.0 113.81 178.13 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -94.44 16.59 14.85 Favored 'General case' 0 C--N 1.347 0.486 0 O-C-N 120.411 -1.431 . . . . 0.0 113.491 -177.337 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 95.12 83.58 1.63 Allowed Glycine 0 C--N 1.349 1.258 0 O-C-N 120.603 -1.31 . . . . 0.0 115.787 162.511 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -89.86 -20.39 1.18 Allowed 'Trans proline' 0 CA--C 1.511 -0.626 0 CA-C-N 120.796 2.298 . . . . 0.0 110.361 -166.523 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.2 tptp -66.74 -41.12 88.35 Favored 'General case' 0 C--N 1.35 0.591 0 O-C-N 120.625 -1.297 . . . . 0.0 113.226 178.726 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.4 mp -63.54 -44.52 93.93 Favored 'General case' 0 C--N 1.348 0.519 0 C-N-CA 124.883 1.273 . . . . 0.0 111.19 172.624 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.15 -46.26 91.29 Favored 'General case' 0 C--N 1.35 0.63 0 C-N-CA 124.417 1.087 . . . . 0.0 112.141 178.577 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.2 p -66.91 -41.5 87.02 Favored 'General case' 0 C--N 1.345 0.395 0 N-CA-C 115.444 1.646 . . . . 0.0 115.444 174.404 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.253 2.2 pp -69.48 -35.56 75.7 Favored 'General case' 0 C--N 1.357 0.892 0 O-C-N 119.893 -1.754 . . . . 0.0 114.418 -179.737 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 47.4 t . . . . . 0 C--N 1.35 0.596 0 O-C-N 120.462 -1.399 . . . . 0.0 110.331 179.464 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo . . . . . 0 CA--C 1.513 -0.547 0 N-CA-C 115.161 1.177 . . . . 0.0 115.161 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.5 tt -64.14 -44.32 97.57 Favored 'Isoleucine or valine' 0 C--N 1.347 0.464 0 CA-C-N 119.814 1.188 . . . . 0.0 113.207 176.47 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 85.9 mt -68.11 -42.46 80.22 Favored 'General case' 0 C--N 1.349 0.575 0 O-C-N 120.686 -1.259 . . . . 0.0 111.895 176.221 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.13 -44.08 97.43 Favored 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 124.267 1.027 . . . . 0.0 113.22 175.41 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 21.8 t -62.62 -45.31 93.44 Favored 'General case' 0 C--N 1.35 0.619 0 C-N-CA 124.306 1.043 . . . . 0.0 112.446 173.755 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.0 tt -60.87 -45.34 94.94 Favored 'General case' 0 C--N 1.351 0.65 0 O-C-N 120.581 -1.324 . . . . 0.0 112.737 176.282 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.62 -44.0 97.39 Favored 'General case' 0 C--N 1.35 0.595 0 C-N-CA 124.339 1.055 . . . . 0.0 113.438 174.145 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.03 -43.46 95.3 Favored 'General case' 0 C--N 1.351 0.661 0 C-N-CA 124.787 1.235 . . . . 0.0 112.635 175.758 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -72.75 -11.7 60.72 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 126.654 1.982 . . . . 0.0 113.38 179.664 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -104.15 0.04 29.12 Favored 'General case' 0 C--N 1.346 0.455 0 O-C-N 119.273 -2.142 . . . . 0.0 112.54 170.856 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 89.06 80.02 1.31 Allowed Glycine 0 C--N 1.349 1.255 0 O-C-N 120.688 -1.257 . . . . 0.0 114.463 170.177 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -92.04 8.4 2.97 Favored 'Trans proline' 0 CA--C 1.512 -0.591 0 CA-C-N 121.935 2.867 . . . . 0.0 110.062 -158.789 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -62.27 -38.9 91.11 Favored 'General case' 0 C--N 1.348 0.501 0 C-N-CA 125.12 1.368 . . . . 0.0 112.629 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.6 mp -62.26 -43.85 97.89 Favored 'General case' 0 C--N 1.348 0.542 0 C-N-CA 123.856 0.863 . . . . 0.0 111.542 175.127 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -65.61 -41.42 92.75 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 124.592 1.157 . . . . 0.0 112.987 176.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 86.4 p -66.28 -43.27 86.87 Favored 'General case' 0 C--N 1.351 0.658 0 N-CA-C 114.716 1.376 . . . . 0.0 114.716 173.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.8 pp -66.5 -32.56 73.99 Favored 'General case' 0 C--N 1.355 0.847 0 CA-C-N 119.836 1.198 . . . . 0.0 113.928 -178.646 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 22.8 m . . . . . 0 C--N 1.351 0.668 0 O-C-N 120.325 -1.484 . . . . 0.0 111.068 174.44 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo . . . . . 0 CA--C 1.51 -0.7 0 CA-C-O 118.905 -0.54 . . . . 0.0 111.846 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 20.7 tt -62.64 -45.01 99.86 Favored 'Isoleucine or valine' 0 C--N 1.347 0.491 0 CA-C-N 119.204 0.911 . . . . 0.0 112.702 174.749 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 78.3 mt -66.47 -41.38 89.08 Favored 'General case' 0 C--N 1.35 0.596 0 O-C-N 120.626 -1.296 . . . . 0.0 112.291 175.459 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.81 -42.37 98.93 Favored 'General case' 0 C--N 1.349 0.555 0 N-CA-C 113.454 0.909 . . . . 0.0 113.454 174.594 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.9 t -61.18 -45.83 93.01 Favored 'General case' 0 C--N 1.35 0.6 0 C-N-CA 124.464 1.106 . . . . 0.0 112.735 174.274 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 85.2 mt -63.32 -43.89 96.5 Favored 'General case' 0 C--N 1.349 0.583 0 O-C-N 120.523 -1.361 . . . . 0.0 113.255 173.507 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.66 -41.74 97.96 Favored 'General case' 0 C--N 1.346 0.454 0 O-C-N 120.529 -1.357 . . . . 0.0 113.642 175.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.57 -45.71 91.7 Favored 'General case' 0 C--N 1.349 0.587 0 C-N-CA 124.451 1.1 . . . . 0.0 113.185 172.318 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -62.96 -38.45 91.12 Favored 'General case' 0 N--CA 1.45 -0.425 0 C-N-CA 125.761 1.624 . . . . 0.0 114.21 178.772 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -94.29 11.6 29.79 Favored 'General case' 0 C--N 1.348 0.503 0 O-C-N 120.808 -1.183 . . . . 0.0 113.158 -178.061 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 95.31 84.92 1.68 Allowed Glycine 0 C--N 1.35 1.309 0 O-C-N 120.493 -1.379 . . . . 0.0 115.206 164.498 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -82.32 -27.46 2.29 Favored 'Trans proline' 0 CA--C 1.511 -0.652 0 CA-C-N 121.23 2.515 . . . . 0.0 109.166 -168.405 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.5 tptt -64.45 -39.75 94.42 Favored 'General case' 0 C--N 1.35 0.595 0 O-C-N 121.325 -0.859 . . . . 0.0 112.221 173.161 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 57.7 tp -61.75 -42.01 98.42 Favored 'General case' 0 C--N 1.35 0.626 0 C-N-CA 124.771 1.229 . . . . 0.0 112.338 173.028 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -61.68 -44.65 96.55 Favored 'General case' 0 C--N 1.349 0.552 0 O-C-N 120.615 -1.303 . . . . 0.0 112.963 171.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 69.1 p -57.91 -38.34 75.68 Favored 'General case' 0 C--N 1.35 0.612 0 N-CA-C 117.666 2.469 . . . . 0.0 117.666 -168.755 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.14 -37.08 81.56 Favored 'General case' 0 C--N 1.352 0.7 0 N-CA-C 115.592 1.701 . . . . 0.0 115.592 -170.227 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.9 t . . . . . 0 C--N 1.348 0.521 0 CA-C-O 122.32 1.057 . . . . 0.0 109.168 174.099 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo . . . . . 0 CA--C 1.516 -0.424 0 CA-C-O 118.854 -0.561 . . . . 0.0 113.422 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 20.6 tt -63.64 -45.06 98.52 Favored 'Isoleucine or valine' 0 C--N 1.348 0.513 0 CA-C-N 119.622 1.101 . . . . 0.0 112.611 174.156 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 74.9 mt -65.15 -43.71 90.93 Favored 'General case' 0 C--N 1.35 0.589 0 C-N-CA 124.862 1.265 . . . . 0.0 112.041 176.513 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.83 -42.01 98.5 Favored 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 124.54 1.136 . . . . 0.0 113.071 174.281 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 30.7 t -60.3 -42.57 95.81 Favored 'General case' 0 C--N 1.351 0.657 0 O-C-N 121.002 -1.061 . . . . 0.0 112.683 174.588 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 72.3 mt -66.68 -48.82 68.12 Favored 'General case' 0 C--N 1.346 0.421 0 O-C-N 120.116 -1.615 . . . . 0.0 112.988 171.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.32 -44.08 95.98 Favored 'General case' 0 C--N 1.348 0.503 0 N-CA-C 114.926 1.454 . . . . 0.0 114.926 -176.656 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.28 -44.15 88.94 Favored 'General case' 0 N--CA 1.448 -0.556 0 O-C-N 120.989 -1.07 . . . . 0.0 113.163 175.873 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.7 ttmp? -64.81 -37.58 88.1 Favored 'General case' 0 C--N 1.347 0.464 0 C-N-CA 125.477 1.511 . . . . 0.0 114.084 -178.257 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -93.26 8.55 39.82 Favored 'General case' 0 C--N 1.346 0.449 0 O-C-N 121.066 -1.021 . . . . 0.0 112.632 -177.032 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 95.55 85.38 1.7 Allowed Glycine 0 C--N 1.35 1.357 0 O-C-N 120.693 -1.255 . . . . 0.0 114.501 166.655 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -75.31 -21.59 15.14 Favored 'Trans proline' 0 CA--C 1.514 -0.493 0 CA-C-N 121.762 2.781 . . . . 0.0 111.061 -164.826 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -62.04 -38.16 87.68 Favored 'General case' 0 C--N 1.349 0.546 0 C-N-CA 123.684 0.794 . . . . 0.0 112.569 172.771 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.6 mp -63.91 -39.86 95.16 Favored 'General case' 0 C--N 1.35 0.617 0 C-N-CA 125.409 1.484 . . . . 0.0 111.531 177.117 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -64.29 -50.57 67.36 Favored 'General case' 0 C--N 1.351 0.647 0 O-C-N 120.842 -1.161 . . . . 0.0 111.63 167.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.5 t -60.46 -39.18 86.67 Favored 'General case' 0 C--N 1.348 0.528 0 C-N-CA 125.899 1.68 . . . . 0.0 115.233 -172.32 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.1 pp -70.85 -16.09 62.68 Favored 'General case' 0 C--N 1.347 0.495 0 N-CA-C 114.97 1.47 . . . . 0.0 114.97 -171.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.4 t . . . . . 0 C--N 1.352 0.704 0 CA-C-O 122.763 1.268 . . . . 0.0 108.504 169.185 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo . . . . . 0 N--CA 1.461 -0.418 0 CA-C-O 119.033 -0.486 . . . . 0.0 113.037 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 7.9 tp -63.56 -47.67 90.41 Favored 'Isoleucine or valine' 0 C--N 1.347 0.48 0 CA-C-N 119.319 0.963 . . . . 0.0 113.497 175.417 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.7 pp -71.01 -36.97 72.62 Favored 'General case' 0 C--N 1.353 0.719 0 O-C-N 120.002 -1.687 . . . . 0.0 112.013 177.222 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.5 -41.81 97.84 Favored 'General case' 0 C--N 1.351 0.672 0 O-C-N 121.104 -0.997 . . . . 0.0 113.018 173.204 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 42.0 t -59.54 -43.08 93.6 Favored 'General case' 0 C--N 1.351 0.668 0 C-N-CA 124.795 1.238 . . . . 0.0 112.728 174.022 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 83.5 mt -67.55 -48.09 67.97 Favored 'General case' 0 C--N 1.346 0.435 0 O-C-N 120.576 -1.328 . . . . 0.0 113.146 172.33 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.05 -43.64 98.05 Favored 'General case' 0 C--N 1.348 0.528 0 N-CA-C 114.756 1.391 . . . . 0.0 114.756 -176.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.93 -44.18 90.34 Favored 'General case' 0 C--N 1.349 0.553 0 O-C-N 120.986 -1.071 . . . . 0.0 113.045 175.041 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.7 ttpm? -65.98 -37.12 85.16 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 125.579 1.551 . . . . 0.0 114.562 -179.569 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -93.04 8.38 40.24 Favored 'General case' 0 C--N 1.347 0.477 0 O-C-N 120.77 -1.206 . . . . 0.0 112.727 -177.502 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 97.03 84.54 1.74 Allowed Glycine 0 C--N 1.35 1.315 0 O-C-N 120.698 -1.251 . . . . 0.0 114.297 167.243 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -76.67 -16.43 16.64 Favored 'Trans proline' 0 CA--C 1.514 -0.525 0 CA-C-N 121.827 2.813 . . . . 0.0 110.803 -165.343 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.9 mmtt -65.21 -32.28 73.88 Favored 'General case' 0 C--N 1.35 0.612 0 O-C-N 121.208 -0.932 . . . . 0.0 113.206 172.694 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 76.1 mt -62.25 -43.01 99.79 Favored 'General case' 0 C--N 1.352 0.694 0 C-N-CA 124.365 1.066 . . . . 0.0 112.276 174.834 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 38.0 t80 -63.71 -47.7 80.07 Favored 'General case' 0 C--N 1.353 0.729 0 O-C-N 121.224 -0.922 . . . . 0.0 111.537 169.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 31.2 t -58.93 -39.68 82.32 Favored 'General case' 0 C--N 1.35 0.599 0 C-N-CA 126.028 1.731 . . . . 0.0 114.825 -174.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.4 pp -61.83 -33.52 74.3 Favored 'General case' 0 C--N 1.348 0.529 0 N-CA-C 115.936 1.828 . . . . 0.0 115.936 -175.132 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.8 t . . . . . 0 C--N 1.354 0.778 0 CA-C-O 123.149 1.452 . . . . 0.0 109.43 171.365 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo . . . . . 0 CA--C 1.514 -0.511 0 N-CA-C 114.001 0.731 . . . . 0.0 114.001 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.1 tt -64.86 -48.43 84.35 Favored 'Isoleucine or valine' 0 C--N 1.347 0.48 0 CA-C-N 119.815 1.189 . . . . 0.0 113.599 -178.25 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.1 pp -71.07 -34.63 71.37 Favored 'General case' 0 C--N 1.35 0.596 0 O-C-N 120.151 -1.593 . . . . 0.0 112.481 176.157 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.42 -41.2 96.79 Favored 'General case' 0 C--N 1.353 0.732 0 O-C-N 120.946 -1.096 . . . . 0.0 112.928 171.776 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 33.2 t -60.09 -42.82 95.45 Favored 'General case' 0 C--N 1.35 0.63 0 C-N-CA 124.436 1.095 . . . . 0.0 112.757 173.465 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.8 mp -66.33 -48.38 70.45 Favored 'General case' 0 C--N 1.347 0.495 0 O-C-N 119.986 -1.696 . . . . 0.0 112.74 171.687 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.68 -43.35 99.02 Favored 'General case' 0 C--N 1.346 0.426 0 N-CA-C 114.624 1.342 . . . . 0.0 114.624 -176.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.3 -43.31 95.14 Favored 'General case' 0 C--N 1.348 0.523 0 O-C-N 120.976 -1.077 . . . . 0.0 113.218 174.843 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.8 ttmp? -65.52 -37.49 86.9 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 125.615 1.566 . . . . 0.0 114.216 -179.1 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -93.99 8.56 40.96 Favored 'General case' 0 C--N 1.348 0.502 0 O-C-N 120.973 -1.08 . . . . 0.0 112.936 -176.184 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 98.72 81.62 1.61 Allowed Glycine 0 C--N 1.351 1.378 0 O-C-N 120.591 -1.318 . . . . 0.0 115.031 165.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -79.88 -22.18 7.72 Favored 'Trans proline' 0 CA--C 1.513 -0.572 0 CA-C-N 121.574 2.687 . . . . 0.0 110.284 -165.424 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -65.29 -37.03 85.9 Favored 'General case' 0 C--N 1.347 0.47 0 C-N-CA 124.096 0.959 . . . . 0.0 113.119 173.35 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.5 mp -62.89 -35.69 80.88 Favored 'General case' 0 C--N 1.349 0.587 0 C-N-CA 125.055 1.342 . . . . 0.0 111.109 175.589 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -69.3 -53.0 21.92 Favored 'General case' 0 C--N 1.35 0.612 0 O-C-N 120.941 -1.099 . . . . 0.0 112.773 166.22 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 53.3 p -61.24 -36.35 79.72 Favored 'General case' 0 C--N 1.353 0.738 0 N-CA-C 115.808 1.781 . . . . 0.0 115.808 -166.483 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.8 pp -57.3 -37.42 72.42 Favored 'General case' 0 C--N 1.35 0.608 0 N-CA-C 115.475 1.657 . . . . 0.0 115.475 -173.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.1 p . . . . . 0 C--N 1.349 0.584 0 O-C-N 120.741 -1.225 . . . . 0.0 110.544 173.554 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo . . . . . 0 CA--C 1.513 -0.564 0 N-CA-C 114.561 0.947 . . . . 0.0 114.561 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.3 tt -64.71 -48.22 85.5 Favored 'Isoleucine or valine' 0 C--N 1.348 0.503 0 CA-C-N 119.972 1.26 . . . . 0.0 113.861 -179.555 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.0 pp -71.95 -37.44 69.97 Favored 'General case' 0 C--N 1.351 0.653 0 O-C-N 120.217 -1.552 . . . . 0.0 112.049 176.054 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.3 -45.5 92.99 Favored 'General case' 0 C--N 1.351 0.66 0 O-C-N 121.154 -0.966 . . . . 0.0 113.256 175.598 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 23.2 t -63.82 -44.74 92.33 Favored 'General case' 0 C--N 1.35 0.589 0 O-C-N 120.954 -1.091 . . . . 0.0 112.41 174.135 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 35.9 tp -60.07 -45.23 93.59 Favored 'General case' 0 C--N 1.351 0.657 0 O-C-N 120.667 -1.27 . . . . 0.0 112.532 178.066 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.63 -46.87 80.7 Favored 'General case' 0 N--CA 1.445 -0.707 0 C-N-CA 125.179 1.392 . . . . 0.0 113.667 172.556 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.84 -42.23 88.82 Favored 'General case' 0 C--N 1.353 0.735 0 C-N-CA 125.649 1.58 . . . . 0.0 113.12 -178.176 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.53 -45.75 90.86 Favored 'General case' 0 N--CA 1.445 -0.678 0 C-N-CA 127.123 2.169 . . . . 0.0 113.465 171.87 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -67.58 -45.17 76.31 Favored 'General case' 0 C--N 1.357 0.902 0 O-C-N 120.439 -1.413 . . . . 0.0 112.316 173.174 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 121.53 97.92 1.52 Allowed Glycine 0 C--N 1.344 0.989 0 N-CA-C 115.886 1.114 . . . . 0.0 115.886 172.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_endo -92.43 13.98 1.78 Allowed 'Trans proline' 0 N--CA 1.454 -0.85 0 C-N-CA 122.14 1.893 . . . . 0.0 108.22 173.43 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.5 mptt -58.89 -42.44 89.51 Favored 'General case' 0 C--N 1.35 0.588 0 C-N-CA 125.563 1.545 . . . . 0.0 112.144 -176.015 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.9 mp -64.42 -42.8 95.83 Favored 'General case' 0 C--N 1.351 0.632 0 C-N-CA 124.544 1.137 . . . . 0.0 112.219 171.734 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -63.69 -40.62 97.26 Favored 'General case' 0 C--N 1.348 0.533 0 C-N-CA 125.249 1.419 . . . . 0.0 112.872 179.732 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.5 p -64.87 -43.61 92.4 Favored 'General case' 0 C--N 1.349 0.562 0 N-CA-C 114.542 1.312 . . . . 0.0 114.542 172.015 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.5 pp -74.02 -22.86 59.42 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 120.258 1.39 . . . . 0.0 113.893 -178.293 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.7 p . . . . . 0 C--N 1.351 0.654 0 O-C-N 120.461 -1.399 . . . . 0.0 110.003 171.839 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo . . . . . 0 N--CA 1.459 -0.514 0 CA-C-O 118.319 -0.784 . . . . 0.0 112.71 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 7.9 tp -67.59 -45.57 84.78 Favored 'Isoleucine or valine' 0 C--N 1.351 0.634 0 CA-C-N 120.304 1.411 . . . . 0.0 112.683 177.514 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.9 pp -65.32 -39.16 92.11 Favored 'General case' 0 C--N 1.354 0.786 0 O-C-N 120.022 -1.674 . . . . 0.0 112.952 174.763 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.51 -41.55 98.91 Favored 'General case' 0 C--N 1.353 0.722 0 O-C-N 120.695 -1.253 . . . . 0.0 113.397 173.271 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 34.3 t -59.62 -44.77 93.32 Favored 'General case' 0 C--N 1.349 0.578 0 C-N-CA 124.949 1.299 . . . . 0.0 112.471 175.453 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 85.4 mt -65.94 -47.19 75.47 Favored 'General case' 0 C--N 1.347 0.46 0 O-C-N 121.258 -0.901 . . . . 0.0 113.089 172.335 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.18 -40.74 95.06 Favored 'General case' 0 C--N 1.349 0.57 0 O-C-N 120.607 -1.308 . . . . 0.0 114.098 -179.262 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.2 -44.37 97.4 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 124.281 1.032 . . . . 0.0 113.397 173.844 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 31.4 mtmm -66.77 -36.33 82.16 Favored 'General case' 0 C--N 1.349 0.555 0 N-CA-C 113.909 1.077 . . . . 0.0 113.909 174.492 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -91.0 11.51 22.67 Favored 'General case' 0 C--N 1.346 0.42 0 O-C-N 120.269 -1.519 . . . . 0.0 113.182 -175.23 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 96.58 86.29 1.78 Allowed Glycine 0 C--N 1.351 1.37 0 C-N-CA 124.545 1.069 . . . . 0.0 114.844 164.51 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -80.67 -42.58 0.13 Allowed 'Trans proline' 0 N--CA 1.459 -0.519 0 CA-C-N 121.733 2.766 . . . . 0.0 111.943 -165.431 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 49.4 tptt -76.18 -19.64 58.24 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-N 120.218 1.372 . . . . 0.0 112.034 177.571 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 87.3 mt -64.4 -36.41 84.06 Favored 'General case' 0 N--CA 1.45 -0.443 0 O-C-N 120.555 -1.341 . . . . 0.0 111.955 167.417 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -69.95 -47.39 62.52 Favored 'General case' 0 C--N 1.352 0.677 0 O-C-N 120.241 -1.537 . . . . 0.0 112.633 166.176 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 82.7 p -92.11 16.98 10.17 Favored 'General case' 0 C--N 1.349 0.557 0 O-C-N 120.071 -1.643 . . . . 0.0 114.673 -167.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.275 3.5 pp -70.09 -45.22 67.41 Favored 'General case' 0 C--N 1.347 0.499 0 O-C-N 119.498 -2.001 . . . . 0.0 113.37 162.113 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 15.7 m . . . . . 0 C--N 1.354 0.763 0 O-C-N 121.042 -1.036 . . . . 0.0 110.99 172.602 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo . . . . . 0 N--CA 1.462 -0.357 0 CA-C-O 118.951 -0.52 . . . . 0.0 113.004 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 20.9 tt -63.31 -47.44 92.02 Favored 'Isoleucine or valine' 0 C--N 1.348 0.542 0 CA-C-N 119.487 1.04 . . . . 0.0 113.738 177.064 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.4 pp -69.6 -35.87 75.7 Favored 'General case' 0 C--N 1.353 0.728 0 O-C-N 120.164 -1.585 . . . . 0.0 112.416 176.229 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.46 -42.09 99.23 Favored 'General case' 0 C--N 1.351 0.643 0 O-C-N 120.885 -1.135 . . . . 0.0 113.095 172.141 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 28.5 t -60.45 -41.96 95.18 Favored 'General case' 0 C--N 1.35 0.629 0 C-N-CA 124.566 1.147 . . . . 0.0 112.643 173.857 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 82.8 mt -65.93 -49.95 66.13 Favored 'General case' 0 C--N 1.347 0.466 0 O-C-N 120.169 -1.582 . . . . 0.0 113.341 171.15 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.29 -44.37 95.25 Favored 'General case' 0 C--N 1.347 0.477 0 N-CA-C 114.618 1.34 . . . . 0.0 114.618 -176.26 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.02 -43.38 95.78 Favored 'General case' 0 C--N 1.349 0.56 0 O-C-N 121.032 -1.042 . . . . 0.0 113.179 176.641 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.7 ttmp? -65.94 -38.5 88.78 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 125.64 1.576 . . . . 0.0 114.346 -178.86 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -77.15 -14.8 59.73 Favored 'General case' 0 C--N 1.349 0.562 0 O-C-N 121.294 -0.878 . . . . 0.0 112.996 177.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 100.99 85.05 1.84 Allowed Glycine 0 C--N 1.35 1.348 0 O-C-N 120.778 -1.201 . . . . 0.0 113.896 170.873 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -92.12 12.03 2.19 Favored 'Trans proline' 0 CA--C 1.515 -0.47 0 CA-C-N 121.863 2.831 . . . . 0.0 109.81 -160.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 47.7 mtpt -59.76 -44.26 93.94 Favored 'General case' 0 C--N 1.349 0.553 0 N-CA-C 114.158 1.169 . . . . 0.0 114.158 -171.845 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.4 tt -61.81 -45.74 92.51 Favored 'General case' 0 C--N 1.35 0.611 0 CA-C-O 122.003 0.906 . . . . 0.0 111.973 179.252 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -63.04 -39.51 94.97 Favored 'General case' 0 C--N 1.348 0.527 0 O-C-N 120.928 -1.108 . . . . 0.0 112.563 176.579 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 51.9 p -64.73 -45.79 85.03 Favored 'General case' 0 C--N 1.351 0.647 0 N-CA-C 115.083 1.512 . . . . 0.0 115.083 173.506 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.2 pp -76.24 -23.67 54.55 Favored 'General case' 0 C--N 1.356 0.887 0 O-C-N 120.585 -1.322 . . . . 0.0 113.429 -175.369 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.8 p . . . . . 0 C--N 1.35 0.598 0 CA-C-O 123.138 1.447 . . . . 0.0 109.255 173.239 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo . . . . . 0 CA--C 1.515 -0.439 0 CA-C-O 118.946 -0.523 . . . . 0.0 113.271 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.2 tt -63.04 -43.58 99.11 Favored 'Isoleucine or valine' 0 C--N 1.347 0.467 0 CA-C-N 119.284 0.947 . . . . 0.0 112.937 173.376 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 78.3 mt -66.81 -42.53 85.74 Favored 'General case' 0 C--N 1.349 0.566 0 C-N-CA 124.892 1.277 . . . . 0.0 111.888 175.558 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.2 -43.11 99.57 Favored 'General case' 0 N--CA 1.447 -0.622 0 C-N-CA 124.142 0.977 . . . . 0.0 113.289 174.736 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 19.9 t -61.78 -44.54 96.68 Favored 'General case' 0 C--N 1.349 0.577 0 C-N-CA 124.625 1.17 . . . . 0.0 112.663 173.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.0 tt -62.02 -45.2 94.66 Favored 'General case' 0 C--N 1.35 0.598 0 O-C-N 120.786 -1.196 . . . . 0.0 112.667 174.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.64 -41.83 99.25 Favored 'General case' 0 C--N 1.348 0.527 0 O-C-N 120.63 -1.294 . . . . 0.0 113.572 174.48 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.59 -41.9 98.09 Favored 'General case' 0 C--N 1.349 0.577 0 C-N-CA 124.955 1.302 . . . . 0.0 113.408 174.205 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.9 tptt -58.8 -40.46 84.13 Favored 'General case' 0 C--N 1.347 0.49 0 C-N-CA 126.177 1.791 . . . . 0.0 114.633 -176.848 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -98.72 5.29 47.71 Favored 'General case' 0 C--N 1.346 0.455 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 -174.087 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 98.34 79.96 1.5 Allowed Glycine 0 C--N 1.35 1.328 0 O-C-N 120.6 -1.313 . . . . 0.0 114.553 170.148 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -78.44 -7.5 15.92 Favored 'Trans proline' 0 CA--C 1.515 -0.458 0 CA-C-N 121.063 2.432 . . . . 0.0 111.191 -166.007 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.7 tmtm? -62.61 -39.69 94.59 Favored 'General case' 0 N--CA 1.447 -0.589 0 O-C-N 121.149 -0.969 . . . . 0.0 112.607 178.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.0 mp -60.21 -44.11 95.42 Favored 'General case' 0 C--N 1.349 0.558 0 C-N-CA 124.401 1.08 . . . . 0.0 111.749 176.195 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -62.91 -41.05 99.32 Favored 'General case' 0 C--N 1.347 0.481 0 C-N-CA 124.527 1.131 . . . . 0.0 112.667 174.314 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 39.9 p -63.58 -44.57 93.67 Favored 'General case' 0 C--N 1.353 0.738 0 N-CA-C 115.221 1.563 . . . . 0.0 115.221 174.771 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.0 pp -71.56 -35.08 70.48 Favored 'General case' 0 C--N 1.354 0.783 0 O-C-N 120.692 -1.255 . . . . 0.0 113.409 -177.126 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.3 p . . . . . 0 C--N 1.351 0.664 0 O-C-N 120.294 -1.504 . . . . 0.0 111.314 173.002 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 10.1 t80 . . . . . 0 N--CA 1.437 -1.102 0 N-CA-C 107.643 -1.243 . . . . 0.0 107.643 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.7 mp -63.7 136.03 96.54 Favored Pre-proline 0 C--N 1.35 0.59 0 O-C-N 120.739 -1.226 . . . . 0.0 112.457 -175.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -69.3 -34.82 15.25 Favored 'Trans proline' 0 CA--C 1.514 -0.496 0 C-N-CA 122.384 2.056 . . . . 0.0 112.909 -164.327 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 20.9 tt -64.08 -44.97 97.81 Favored 'Isoleucine or valine' 0 C--N 1.346 0.456 0 CA-C-N 119.161 0.891 . . . . 0.0 112.654 174.089 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 72.9 mt -67.05 -41.06 87.14 Favored 'General case' 0 N--CA 1.449 -0.518 0 O-C-N 120.438 -1.414 . . . . 0.0 112.15 176.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.12 -41.03 95.95 Favored 'General case' 0 C--N 1.348 0.534 0 C-N-CA 124.929 1.291 . . . . 0.0 113.043 172.45 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 42.4 t -59.55 -43.02 93.64 Favored 'General case' 0 C--N 1.351 0.671 0 O-C-N 120.95 -1.094 . . . . 0.0 112.775 173.709 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.9 mp -66.69 -48.33 69.61 Favored 'General case' 0 C--N 1.347 0.464 0 O-C-N 120.366 -1.459 . . . . 0.0 112.602 171.041 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.61 -43.47 98.74 Favored 'General case' 0 C--N 1.347 0.469 0 N-CA-C 114.918 1.451 . . . . 0.0 114.918 -176.676 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.46 -43.73 93.29 Favored 'General case' 0 N--CA 1.448 -0.543 0 O-C-N 120.925 -1.109 . . . . 0.0 113.041 174.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -65.7 -36.78 84.59 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 125.737 1.615 . . . . 0.0 114.345 179.52 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -93.21 8.59 39.62 Favored 'General case' 0 C--N 1.347 0.467 0 O-C-N 120.775 -1.203 . . . . 0.0 112.95 -177.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 99.7 84.58 1.8 Allowed Glycine 0 C--N 1.35 1.353 0 O-C-N 120.664 -1.272 . . . . 0.0 115.526 164.633 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -80.88 -14.12 11.3 Favored 'Trans proline' 0 N--CA 1.457 -0.629 0 CA-C-N 121.401 2.601 . . . . 0.0 110.257 -172.138 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.7 tptp -66.44 -41.56 88.96 Favored 'General case' 0 C--N 1.349 0.544 0 N-CA-C 114.224 1.194 . . . . 0.0 114.224 178.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.76 -40.57 88.28 Favored 'General case' 0 C--N 1.351 0.665 0 O-C-N 121.45 -0.781 . . . . 0.0 112.803 173.532 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -63.39 -46.68 85.34 Favored 'General case' 0 C--N 1.353 0.745 0 O-C-N 120.684 -1.26 . . . . 0.0 112.753 174.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.3 p -64.57 -32.49 74.16 Favored 'General case' 0 C--N 1.345 0.4 0 N-CA-C 115.981 1.845 . . . . 0.0 115.981 -176.611 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.283 2.3 pp -63.66 -38.71 92.15 Favored 'General case' 0 C--N 1.353 0.734 0 N-CA-C 116.038 1.866 . . . . 0.0 116.038 -175.177 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.1 t -100.95 3.75 10.56 Favored 'Isoleucine or valine' 0 C--N 1.354 0.769 0 O-C-N 120.506 -1.371 . . . . 0.0 109.364 171.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.436 6.1 t 44.89 53.92 7.17 Favored 'General case' 0 C--N 1.353 0.737 0 C-N-CA 128.022 2.529 . . . . 0.0 112.892 -166.83 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 161.77 128.96 0.0 OUTLIER 'General case' 0 C--N 1.349 0.586 0 C-N-CA 128.958 2.903 . . . . 0.0 106.072 -162.16 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -157.49 -67.4 0.1 Allowed 'General case' 0 C--N 1.35 0.62 0 O-C-N 120.335 -1.478 . . . . 0.0 111.175 161.238 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 25.3 m . . . . . 0 C--N 1.352 0.696 0 C-N-CA 129.011 2.924 . . . . 0.0 118.518 -169.761 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 . . . . . 0 N--CA 1.439 -1.018 0 N-CA-C 107.439 -1.319 . . . . 0.0 107.439 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.3 mm? 53.6 58.92 13.11 Favored Pre-proline 0 C--N 1.354 0.803 0 C-N-CA 125.105 1.362 . . . . 0.0 114.623 178.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_endo -63.43 -33.87 67.76 Favored 'Trans proline' 0 CA--C 1.516 -0.389 0 C-N-CA 123.406 2.737 . . . . 0.0 114.888 -155.44 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 8.7 tp -64.44 -44.22 97.01 Favored 'Isoleucine or valine' 0 C--N 1.347 0.48 0 CA-C-N 119.954 1.252 . . . . 0.0 112.953 174.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 78.5 mt -67.57 -42.13 83.06 Favored 'General case' 0 C--N 1.349 0.555 0 O-C-N 120.67 -1.269 . . . . 0.0 111.763 175.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.6 -42.13 98.44 Favored 'General case' 0 C--N 1.349 0.552 0 C-N-CA 124.286 1.034 . . . . 0.0 113.14 174.081 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 35.9 t -59.86 -42.55 93.94 Favored 'General case' 0 C--N 1.352 0.691 0 C-N-CA 124.926 1.29 . . . . 0.0 112.525 173.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.2 tt -66.33 -50.93 61.94 Favored 'General case' 0 C--N 1.347 0.487 0 O-C-N 120.781 -1.2 . . . . 0.0 112.347 172.013 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.35 -43.23 99.3 Favored 'General case' 0 C--N 1.348 0.504 0 N-CA-C 114.639 1.348 . . . . 0.0 114.639 -175.619 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.93 -41.63 99.54 Favored 'General case' 0 C--N 1.348 0.541 0 O-C-N 121.018 -1.051 . . . . 0.0 113.179 175.052 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.9 ttpm? -78.22 -19.27 54.15 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 124.617 1.167 . . . . 0.0 113.654 -175.764 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -96.49 2.92 52.93 Favored 'General case' 0 C--N 1.347 0.486 0 O-C-N 120.924 -1.11 . . . . 0.0 111.598 177.297 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 94.69 79.66 1.46 Allowed Glycine 0 C--N 1.35 1.352 0 O-C-N 120.396 -1.44 . . . . 0.0 114.79 168.466 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -79.13 -14.39 13.44 Favored 'Trans proline' 0 N--CA 1.459 -0.511 0 CA-C-N 121.395 2.598 . . . . 0.0 110.442 -166.475 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.7 tptt -62.57 -40.24 96.23 Favored 'General case' 0 N--CA 1.447 -0.6 0 O-C-N 121.322 -0.861 . . . . 0.0 112.479 174.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -62.54 -40.7 97.64 Favored 'General case' 0 C--N 1.349 0.566 0 C-N-CA 125.476 1.51 . . . . 0.0 111.845 176.291 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -62.96 -47.12 84.56 Favored 'General case' 0 C--N 1.351 0.671 0 O-C-N 121.017 -1.052 . . . . 0.0 112.06 171.495 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 59.2 p -57.7 -37.22 73.13 Favored 'General case' 0 C--N 1.351 0.653 0 N-CA-C 116.042 1.868 . . . . 0.0 116.042 -170.17 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.8 pp -72.11 -16.28 62.01 Favored 'General case' 0 C--N 1.348 0.537 0 N-CA-C 115.191 1.552 . . . . 0.0 115.191 -167.665 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.7 t -125.02 13.1 4.49 Favored 'Isoleucine or valine' 0 C--N 1.351 0.654 0 CA-C-O 122.419 1.104 . . . . 0.0 108.374 166.787 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.372 3.4 t 44.43 40.24 3.71 Favored 'General case' 0 C--N 1.354 0.796 0 C-N-CA 127.313 2.245 . . . . 0.0 114.725 -168.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.7 tptt 176.72 108.65 0.02 OUTLIER 'General case' 0 C--N 1.351 0.664 0 O-C-N 120.54 -1.35 . . . . 0.0 110.467 -164.538 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -161.35 165.14 29.45 Favored 'General case' 0 N--CA 1.448 -0.537 0 O-C-N 120.211 -1.555 . . . . 0.0 108.613 167.277 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 11.6 t . . . . . 0 C--N 1.35 0.593 0 C-N-CA 124.237 1.015 . . . . 0.0 113.094 -171.112 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 . . . . . 0 N--CA 1.444 -0.747 0 CA-C-O 121.285 0.564 . . . . 0.0 109.666 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 60.4 mt 51.63 56.77 16.46 Favored Pre-proline 0 C--N 1.349 0.584 0 C-N-CA 126.107 1.763 . . . . 0.0 115.493 178.071 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -63.97 -34.91 57.68 Favored 'Trans proline' 0 CA--C 1.517 -0.358 0 C-N-CA 123.312 2.675 . . . . 0.0 114.837 -154.249 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 8.1 tp -64.74 -45.01 96.44 Favored 'Isoleucine or valine' 0 C--N 1.348 0.52 0 CA-C-N 119.849 1.204 . . . . 0.0 112.793 174.66 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 84.8 mt -66.95 -41.52 86.78 Favored 'General case' 0 C--N 1.349 0.548 0 O-C-N 120.538 -1.351 . . . . 0.0 111.937 176.288 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.29 -42.44 98.66 Favored 'General case' 0 C--N 1.349 0.546 0 C-N-CA 124.366 1.066 . . . . 0.0 112.953 173.241 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 31.8 t -60.55 -42.32 96.34 Favored 'General case' 0 C--N 1.352 0.681 0 O-C-N 120.849 -1.157 . . . . 0.0 112.714 173.599 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 77.8 mt -65.35 -48.95 71.21 Favored 'General case' 0 C--N 1.346 0.436 0 O-C-N 120.166 -1.584 . . . . 0.0 113.077 171.369 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.24 -43.0 99.82 Favored 'General case' 0 C--N 1.347 0.485 0 N-CA-C 114.405 1.261 . . . . 0.0 114.405 -177.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.74 -41.41 99.18 Favored 'General case' 0 N--CA 1.448 -0.566 0 C-N-CA 124.323 1.049 . . . . 0.0 113.236 174.468 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.8 ttmp? -75.6 -22.38 56.96 Favored 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 124.488 1.115 . . . . 0.0 113.749 -175.423 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -99.41 6.06 46.14 Favored 'General case' 0 C--N 1.348 0.524 0 O-C-N 120.952 -1.092 . . . . 0.0 112.658 179.59 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 96.35 79.57 1.47 Allowed Glycine 0 C--N 1.35 1.332 0 O-C-N 120.623 -1.298 . . . . 0.0 114.507 169.113 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -80.36 -17.36 10.3 Favored 'Trans proline' 0 CA--C 1.511 -0.674 0 CA-C-N 121.347 2.574 . . . . 0.0 110.468 -164.098 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.6 tptt -65.9 -32.07 73.37 Favored 'General case' 0 C--N 1.349 0.556 0 O-C-N 121.279 -0.888 . . . . 0.0 112.92 176.505 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 76.5 mt -61.79 -43.37 98.99 Favored 'General case' 0 C--N 1.35 0.6 0 C-N-CA 124.309 1.043 . . . . 0.0 112.432 173.428 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -65.1 -43.19 92.88 Favored 'General case' 0 C--N 1.349 0.581 0 O-C-N 121.152 -0.968 . . . . 0.0 111.949 172.033 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 39.6 t -61.92 -43.78 98.14 Favored 'General case' 0 C--N 1.346 0.45 0 N-CA-C 114.889 1.44 . . . . 0.0 114.889 178.209 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.261 2.3 pp -65.06 -38.13 89.8 Favored 'General case' 0 C--N 1.351 0.655 0 N-CA-C 115.381 1.622 . . . . 0.0 115.381 -174.158 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.9 t -95.01 -3.24 10.63 Favored 'Isoleucine or valine' 0 C--N 1.35 0.616 0 O-C-N 120.721 -1.237 . . . . 0.0 109.674 176.183 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.458 6.2 t 48.73 57.61 6.16 Favored 'General case' 0 C--N 1.352 0.677 0 C-N-CA 127.475 2.31 . . . . 0.0 113.275 -169.458 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 148.11 153.76 0.0 OUTLIER 'General case' 0 C--N 1.355 0.823 0 C-N-CA 130.687 3.595 . . . . 0.0 107.869 -171.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.5 tptp -171.85 -51.56 0.02 OUTLIER 'General case' 0 C--N 1.349 0.576 0 O-C-N 120.814 -1.179 . . . . 0.0 110.259 172.491 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 21.6 m . . . . . 0 C--O 1.239 0.525 0 N-CA-C 117.046 2.239 . . . . 0.0 117.046 -179.233 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 . . . . . 0 N--CA 1.445 -0.703 0 CA-C-O 121.544 0.688 . . . . 0.0 110.44 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.7 mp -60.16 143.77 88.16 Favored Pre-proline 0 N--CA 1.45 -0.428 0 C-N-CA 125.577 1.551 . . . . 0.0 113.643 -173.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -64.97 -31.25 56.32 Favored 'Trans proline' 0 CA--C 1.516 -0.413 0 C-N-CA 122.723 2.282 . . . . 0.0 113.119 -169.151 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.1 tt -63.78 -47.24 91.82 Favored 'Isoleucine or valine' 0 C--N 1.347 0.464 0 CA-C-N 119.406 1.003 . . . . 0.0 113.698 175.75 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.7 pp -71.57 -36.67 71.0 Favored 'General case' 0 C--N 1.353 0.734 0 O-C-N 120.072 -1.642 . . . . 0.0 112.011 176.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.78 -41.85 98.24 Favored 'General case' 0 C--N 1.351 0.66 0 O-C-N 121.018 -1.051 . . . . 0.0 113.015 173.162 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 40.8 t -59.59 -42.78 93.33 Favored 'General case' 0 C--N 1.351 0.65 0 C-N-CA 124.859 1.264 . . . . 0.0 112.656 173.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 87.5 mt -66.74 -49.91 64.45 Favored 'General case' 0 C--N 1.346 0.439 0 O-C-N 120.614 -1.303 . . . . 0.0 113.121 171.669 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.74 -43.57 98.45 Favored 'General case' 0 C--N 1.347 0.494 0 N-CA-C 114.694 1.368 . . . . 0.0 114.694 -175.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.43 -44.39 91.34 Favored 'General case' 0 C--N 1.349 0.556 0 O-C-N 121.085 -1.009 . . . . 0.0 113.034 175.126 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.9 ttpm? -66.03 -37.36 85.67 Favored 'General case' 0 C--N 1.345 0.394 0 C-N-CA 125.925 1.69 . . . . 0.0 114.533 -179.519 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -76.66 -12.11 59.95 Favored 'General case' 0 C--N 1.347 0.49 0 O-C-N 120.872 -1.143 . . . . 0.0 113.108 175.417 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 97.97 88.18 1.89 Allowed Glycine 0 C--N 1.35 1.335 0 O-C-N 120.897 -1.127 . . . . 0.0 113.531 168.608 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -90.04 5.58 4.46 Favored 'Trans proline' 0 C--N 1.328 -0.548 0 CA-C-N 122.874 3.337 . . . . 0.0 110.204 -160.063 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.3 tptp -64.21 -40.55 96.3 Favored 'General case' 0 N--CA 1.449 -0.475 0 O-C-N 120.526 -1.359 . . . . 0.0 114.262 -177.325 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -73.95 -20.24 60.43 Favored 'General case' 0 C--N 1.351 0.645 0 O-C-N 120.729 -1.232 . . . . 0.0 113.358 177.121 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -70.48 -46.87 62.92 Favored 'General case' 0 C--N 1.352 0.694 0 O-C-N 120.874 -1.141 . . . . 0.0 110.895 165.321 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 76.9 p -58.25 -41.58 84.52 Favored 'General case' 0 C--N 1.353 0.747 0 N-CA-C 115.632 1.716 . . . . 0.0 115.632 -172.151 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.6 pp -74.52 -16.38 60.84 Favored 'General case' 0 C--N 1.349 0.582 0 N-CA-C 114.941 1.459 . . . . 0.0 114.941 -170.442 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.5 t -111.23 -0.8 9.61 Favored 'Isoleucine or valine' 0 C--N 1.35 0.623 0 CA-C-O 122.858 1.313 . . . . 0.0 108.38 171.265 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.424 7.0 t 38.02 58.18 1.5 Allowed 'General case' 0 C--N 1.354 0.799 0 C-N-CA 128.034 2.534 . . . . 0.0 113.351 -161.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 167.03 143.05 0.02 OUTLIER 'General case' 0 C--N 1.352 0.681 0 C-N-CA 126.29 1.836 . . . . 0.0 108.821 -161.806 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.23 -49.38 0.02 OUTLIER 'General case' 0 CA--C 1.51 -0.591 0 N-CA-C 107.145 -1.428 . . . . 0.0 107.145 167.025 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 47.7 t . . . . . 0 C--O 1.239 0.529 0 N-CA-C 106.767 -1.568 . . . . 0.0 106.767 155.027 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 10.8 t80 . . . . . 0 N--CA 1.444 -0.761 0 CA-C-O 123.309 1.528 . . . . 0.0 108.817 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 8.5 tt -57.36 -45.0 99.93 Favored Pre-proline 0 CA--C 1.535 0.403 0 CA-C-O 116.274 -1.822 . . . . 0.0 115.467 176.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -68.66 -32.92 22.89 Favored 'Trans proline' 0 C--N 1.345 0.365 0 CA-C-N 126.095 3.212 . . . . 0.0 113.697 -175.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 19.7 tt -67.43 -43.51 87.53 Favored 'Isoleucine or valine' 0 C--N 1.351 0.638 0 CA-C-N 120.453 1.479 . . . . 0.0 112.182 174.282 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 96.0 mt -61.87 -43.83 98.05 Favored 'General case' 0 C--N 1.352 0.705 0 O-C-N 120.606 -1.309 . . . . 0.0 112.709 173.2 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.82 -40.93 97.0 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 124.542 1.137 . . . . 0.0 113.271 174.558 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 36.1 t -59.42 -43.8 92.99 Favored 'General case' 0 C--N 1.351 0.64 0 C-N-CA 124.409 1.084 . . . . 0.0 112.722 175.042 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.0 mp -67.62 -49.74 61.49 Favored 'General case' 0 C--N 1.347 0.474 0 O-C-N 120.613 -1.304 . . . . 0.0 112.408 171.731 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.26 -43.14 99.5 Favored 'General case' 0 C--N 1.348 0.52 0 N-CA-C 114.754 1.39 . . . . 0.0 114.754 -175.321 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.37 -41.96 98.84 Favored 'General case' 0 N--CA 1.448 -0.554 0 O-C-N 121.025 -1.047 . . . . 0.0 112.987 174.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.2 ttpm? -76.26 -19.94 57.85 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 124.767 1.227 . . . . 0.0 113.599 -175.62 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -96.18 3.14 53.4 Favored 'General case' 0 C--N 1.347 0.477 0 O-C-N 120.686 -1.259 . . . . 0.0 112.252 176.114 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 93.05 79.68 1.44 Allowed Glycine 0 C--N 1.35 1.32 0 O-C-N 120.604 -1.31 . . . . 0.0 114.661 168.575 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -79.32 -17.06 11.79 Favored 'Trans proline' 0 CA--C 1.512 -0.581 0 CA-C-N 121.532 2.666 . . . . 0.0 110.183 -164.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.8 tptt -62.83 -38.31 90.27 Favored 'General case' 0 N--CA 1.448 -0.538 0 O-C-N 121.224 -0.922 . . . . 0.0 112.521 174.197 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.3 mp -63.15 -38.47 91.3 Favored 'General case' 0 C--N 1.35 0.587 0 C-N-CA 125.688 1.595 . . . . 0.0 112.224 176.11 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -66.22 -44.69 83.1 Favored 'General case' 0 C--N 1.348 0.527 0 C-N-CA 124.532 1.133 . . . . 0.0 112.45 171.22 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 82.1 p -56.44 -39.79 73.71 Favored 'General case' 0 C--N 1.351 0.648 0 N-CA-C 118.139 2.644 . . . . 0.0 118.139 -163.694 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.478 ' H ' HD23 ' A' ' 19' ' ' LEU . 0.5 OUTLIER -61.12 -40.11 92.54 Favored 'General case' 0 C--N 1.351 0.643 0 N-CA-C 115.69 1.737 . . . . 0.0 115.69 -168.449 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.5 t -106.07 -2.12 9.92 Favored 'Isoleucine or valine' 0 C--N 1.348 0.514 0 CA-C-O 123.016 1.389 . . . . 0.0 108.577 174.48 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.454 3.7 t 49.92 46.31 24.36 Favored 'General case' 0 C--N 1.35 0.625 0 C-N-CA 128.834 2.854 . . . . 0.0 113.279 -163.585 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.0 mmtp -149.31 135.95 19.46 Favored 'General case' 0 C--N 1.351 0.643 0 O-C-N 120.358 -1.464 . . . . 0.0 107.923 -178.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.6 tptp -162.56 174.37 12.73 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 104.891 -2.263 . . . . 0.0 104.891 162.502 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 81.1 p . . . . . 0 C--N 1.354 0.79 0 N-CA-C 117.229 2.307 . . . . 0.0 117.229 175.866 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 . . . . . 0 N--CA 1.442 -0.858 0 CA-C-O 122.169 0.985 . . . . 0.0 108.997 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 8.4 tt -58.19 -46.57 99.65 Favored Pre-proline 0 N--CA 1.452 -0.372 0 CA-C-O 116.285 -1.817 . . . . 0.0 115.326 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -71.09 -33.98 10.94 Favored 'Trans proline' 0 N--CA 1.461 -0.393 0 CA-C-N 125.9 3.143 . . . . 0.0 112.871 -175.448 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 20.0 tt -67.26 -44.45 87.48 Favored 'Isoleucine or valine' 0 C--N 1.35 0.592 0 CA-C-N 120.08 1.309 . . . . 0.0 112.302 175.377 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 88.9 mt -63.09 -42.9 99.7 Favored 'General case' 0 C--N 1.351 0.639 0 O-C-N 120.505 -1.372 . . . . 0.0 112.752 174.215 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.73 -40.93 96.79 Favored 'General case' 0 C--N 1.35 0.603 0 O-C-N 120.984 -1.073 . . . . 0.0 113.237 173.48 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 33.0 t -59.93 -43.08 95.14 Favored 'General case' 0 C--N 1.35 0.628 0 O-C-N 120.916 -1.115 . . . . 0.0 112.687 174.52 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.6 mp -66.74 -48.61 68.62 Favored 'General case' 0 C--N 1.346 0.424 0 O-C-N 120.034 -1.667 . . . . 0.0 112.71 171.457 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.9 -43.92 97.48 Favored 'General case' 0 C--N 1.347 0.484 0 N-CA-C 114.947 1.462 . . . . 0.0 114.947 -176.312 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.83 -42.57 94.85 Favored 'General case' 0 N--CA 1.449 -0.522 0 O-C-N 120.962 -1.086 . . . . 0.0 113.244 175.628 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.7 ttmp? -65.1 -37.39 87.34 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 125.378 1.471 . . . . 0.0 114.188 -179.158 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -94.59 9.21 39.55 Favored 'General case' 0 C--N 1.347 0.498 0 O-C-N 120.952 -1.092 . . . . 0.0 113.347 -175.433 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 98.99 80.07 1.5 Allowed Glycine 0 C--N 1.351 1.361 0 O-C-N 120.721 -1.237 . . . . 0.0 115.051 166.362 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -80.08 -18.76 9.86 Favored 'Trans proline' 0 CA--C 1.512 -0.623 0 CA-C-N 121.305 2.552 . . . . 0.0 110.874 -164.204 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 26.5 mmtp -62.19 -37.79 86.65 Favored 'General case' 0 C--N 1.35 0.622 0 N-CA-C 113.264 0.838 . . . . 0.0 113.264 175.095 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 77.6 mt -62.24 -41.1 98.11 Favored 'General case' 0 C--N 1.348 0.533 0 C-N-CA 123.917 0.887 . . . . 0.0 111.604 175.661 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -66.67 -46.27 76.19 Favored 'General case' 0 C--N 1.35 0.605 0 O-C-N 121.33 -0.856 . . . . 0.0 112.85 171.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 59.6 p -65.34 -42.99 92.31 Favored 'General case' 0 C--N 1.35 0.623 0 N-CA-C 115.37 1.618 . . . . 0.0 115.37 -176.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.5 pp -64.91 -38.94 92.63 Favored 'General case' 0 C--N 1.353 0.756 0 N-CA-C 114.575 1.324 . . . . 0.0 114.575 -174.585 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.0 t -88.17 -12.88 10.25 Favored 'Isoleucine or valine' 0 C--N 1.35 0.624 0 CA-C-O 122.987 1.375 . . . . 0.0 109.968 174.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.444 6.9 t 48.16 52.45 13.25 Favored 'General case' 0 C--N 1.352 0.694 0 C-N-CA 128.22 2.608 . . . . 0.0 112.191 -166.648 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.8 mtmm 164.62 107.94 0.0 OUTLIER 'General case' 0 C--N 1.358 0.958 0 C-N-CA 128.315 2.646 . . . . 0.0 108.775 -166.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.1 tptp -155.28 52.42 0.6 Allowed 'General case' 0 C--N 1.351 0.651 0 O-C-N 119.719 -1.863 . . . . 0.0 110.929 168.029 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 31.4 p . . . . . 0 C--O 1.239 0.522 0 O-C-N 119.653 -1.904 . . . . 0.0 110.681 169.917 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 . . . . . 0 N--CA 1.445 -0.725 0 CA-C-O 121.565 0.698 . . . . 0.0 110.422 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.7 mp -59.6 144.96 84.05 Favored Pre-proline 0 N--CA 1.45 -0.462 0 C-N-CA 125.909 1.684 . . . . 0.0 113.8 -173.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -64.23 -31.04 64.27 Favored 'Trans proline' 0 CA--C 1.517 -0.372 0 C-N-CA 122.776 2.317 . . . . 0.0 113.274 -169.505 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.1 tt -63.72 -46.55 94.3 Favored 'Isoleucine or valine' 0 C--N 1.346 0.451 0 N-CA-C 113.684 0.994 . . . . 0.0 113.684 174.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.5 pp -72.18 -35.93 69.11 Favored 'General case' 0 C--N 1.354 0.795 0 O-C-N 120.315 -1.491 . . . . 0.0 111.906 176.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.71 -42.89 99.55 Favored 'General case' 0 C--N 1.35 0.61 0 O-C-N 120.588 -1.32 . . . . 0.0 112.853 172.048 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 33.0 t -60.92 -44.22 97.5 Favored 'General case' 0 C--N 1.351 0.66 0 O-C-N 120.82 -1.175 . . . . 0.0 113.286 175.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . 0.251 3.1 pp -69.76 -42.87 73.29 Favored 'General case' 0 C--N 1.35 0.601 0 O-C-N 119.817 -1.802 . . . . 0.0 113.394 172.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.71 -43.42 98.84 Favored 'General case' 0 C--N 1.35 0.605 0 O-C-N 120.212 -1.555 . . . . 0.0 114.56 179.684 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.95 -43.54 98.52 Favored 'General case' 0 C--N 1.35 0.606 0 CA-C-O 122.213 1.006 . . . . 0.0 112.892 174.498 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.8 ttmp? -65.06 -36.21 83.61 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 125.646 1.578 . . . . 0.0 113.677 178.346 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -94.0 12.96 24.4 Favored 'General case' 0 C--N 1.348 0.52 0 O-C-N 120.543 -1.348 . . . . 0.0 113.377 -177.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 95.96 83.29 1.65 Allowed Glycine 0 C--N 1.351 1.408 0 N-CA-C 115.955 1.142 . . . . 0.0 115.955 162.58 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -86.58 -26.47 0.99 Allowed 'Trans proline' 0 CA--C 1.512 -0.623 0 CA-C-N 121.668 2.734 . . . . 0.0 110.517 -165.023 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.3 tptt -63.35 -40.76 98.17 Favored 'General case' 0 C--N 1.351 0.648 0 CA-C-N 119.685 1.13 . . . . 0.0 112.205 176.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 83.5 mt -61.7 -40.09 93.78 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 125.132 1.373 . . . . 0.0 112.774 172.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -62.52 -44.8 95.48 Favored 'General case' 0 C--N 1.354 0.801 0 O-C-N 120.898 -1.126 . . . . 0.0 111.783 171.473 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 56.2 p -60.25 -40.31 89.83 Favored 'General case' 0 C--N 1.35 0.618 0 N-CA-C 115.902 1.815 . . . . 0.0 115.902 -174.494 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.3 pp -65.92 -36.94 84.76 Favored 'General case' 0 C--N 1.351 0.651 0 N-CA-C 115.337 1.606 . . . . 0.0 115.337 -172.562 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.8 t -97.51 -0.7 10.43 Favored 'Isoleucine or valine' 0 C--N 1.351 0.647 0 CA-C-O 122.79 1.281 . . . . 0.0 109.294 173.351 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.436 6.5 t 44.61 54.57 6.42 Favored 'General case' 0 C--N 1.353 0.727 0 C-N-CA 128.32 2.648 . . . . 0.0 112.659 -166.521 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 165.62 129.83 0.01 OUTLIER 'General case' 0 C--N 1.351 0.656 0 C-N-CA 127.384 2.274 . . . . 0.0 108.295 -162.557 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 19.5 pttp -161.8 170.03 20.29 Favored 'General case' 0 C--N 1.348 0.505 0 O-C-N 120.73 -1.231 . . . . 0.0 107.862 153.379 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 63.6 m . . . . . 0 C--N 1.35 0.618 0 N-CA-C 114.525 1.305 . . . . 0.0 114.525 169.211 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 52.5 p90 . . . . . 0 N--CA 1.438 -1.057 0 CA-C-O 121.353 0.597 . . . . 0.0 109.823 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 94.7 mt -120.36 143.31 35.64 Favored Pre-proline 0 C--N 1.348 0.524 0 O-C-N 121.205 -0.934 . . . . 0.0 108.571 178.574 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -65.23 -31.4 53.63 Favored 'Trans proline' 0 CA--C 1.516 -0.39 0 C-N-CA 123.229 2.619 . . . . 0.0 113.023 -172.188 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.0 tt -62.6 -44.3 99.26 Favored 'Isoleucine or valine' 0 C--N 1.347 0.497 0 CA-C-N 119.371 0.987 . . . . 0.0 112.802 174.132 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 85.8 mt -65.11 -43.18 92.85 Favored 'General case' 0 C--N 1.35 0.592 0 O-C-N 120.576 -1.328 . . . . 0.0 111.838 175.345 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.32 -40.34 93.84 Favored 'General case' 0 C--N 1.35 0.597 0 C-N-CA 124.37 1.068 . . . . 0.0 113.219 174.598 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 32.2 t -58.83 -43.52 90.71 Favored 'General case' 0 C--N 1.35 0.592 0 C-N-CA 124.455 1.102 . . . . 0.0 113.022 176.106 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.9 mp -69.99 -49.43 51.61 Favored 'General case' 0 C--N 1.347 0.492 0 O-C-N 120.467 -1.396 . . . . 0.0 112.288 171.18 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.84 -43.51 98.61 Favored 'General case' 0 C--N 1.349 0.576 0 N-CA-C 114.927 1.454 . . . . 0.0 114.927 -173.441 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.47 -42.37 78.81 Favored 'General case' 0 N--CA 1.448 -0.546 0 O-C-N 120.738 -1.226 . . . . 0.0 113.652 174.627 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.9 ttpm? -68.38 -44.33 75.38 Favored 'General case' 0 C--N 1.349 0.547 0 N-CA-C 114.684 1.364 . . . . 0.0 114.684 -176.738 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -68.37 -38.77 81.72 Favored 'General case' 0 C--N 1.351 0.637 0 CA-C-O 123.555 1.645 . . . . 0.0 110.483 165.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 90.57 139.9 8.23 Favored Glycine 0 C--N 1.341 0.857 0 C-N-CA 126.646 2.07 . . . . 0.0 111.317 174.235 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -89.91 11.01 2.92 Favored 'Trans proline' 0 C--N 1.327 -0.586 0 CA-C-N 121.648 2.724 . . . . 0.0 110.496 -162.287 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.442 ' H ' ' HD3' ' A' ' 15' ' ' LYS . 1.1 mppt? -53.98 -44.07 70.48 Favored 'General case' 0 C--N 1.351 0.631 0 C-N-CA 126.465 1.906 . . . . 0.0 113.706 -173.781 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.474 HD22 ' H ' ' A' ' 16' ' ' LEU . 2.2 mm? -65.31 -39.09 92.04 Favored 'General case' 0 N--CA 1.446 -0.627 0 C-N-CA 124.775 1.23 . . . . 0.0 112.536 179.002 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -74.38 -47.28 35.06 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 126.548 1.939 . . . . 0.0 112.126 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 71.0 p -62.16 -44.76 95.9 Favored 'General case' 0 C--N 1.348 0.537 0 N-CA-C 115.156 1.539 . . . . 0.0 115.156 -167.134 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.8 pp -76.36 -15.09 60.04 Favored 'General case' 0 C--N 1.347 0.46 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 -175.742 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 25.0 t -108.47 3.84 9.56 Favored 'Isoleucine or valine' 0 C--N 1.352 0.675 0 CA-C-O 122.89 1.328 . . . . 0.0 108.672 174.109 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.382 8.8 t 52.96 1.92 0.02 OUTLIER 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 129.088 2.955 . . . . 0.0 116.605 -176.012 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -155.1 157.39 37.42 Favored 'General case' 0 C--N 1.346 0.434 0 O-C-N 119.252 -2.155 . . . . 0.0 107.453 176.528 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.6 tptt -160.57 171.5 18.84 Favored 'General case' 0 C--N 1.349 0.571 0 N-CA-C 107.564 -1.272 . . . . 0.0 107.564 169.041 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 45.6 t . . . . . 0 CA--C 1.509 -0.621 0 N-CA-C 106.215 -1.772 . . . . 0.0 106.215 169.639 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 32.9 t80 . . . . . 0 N--CA 1.438 -1.074 0 N-CA-C 107.218 -1.401 . . . . 0.0 107.218 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 72.0 mt 72.6 119.0 0.03 OUTLIER Pre-proline 0 C--N 1.352 0.71 0 C-N-CA 126.584 1.954 . . . . 0.0 114.497 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -62.78 -31.67 78.28 Favored 'Trans proline' 0 CA--C 1.517 -0.345 0 C-N-CA 122.976 2.451 . . . . 0.0 113.655 -170.079 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 7.8 tp -63.76 -45.73 96.44 Favored 'Isoleucine or valine' 0 C--N 1.348 0.529 0 CA-C-N 119.546 1.067 . . . . 0.0 113.002 173.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 83.1 mt -67.36 -41.91 84.31 Favored 'General case' 0 C--N 1.349 0.565 0 O-C-N 120.352 -1.467 . . . . 0.0 111.962 176.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.87 -41.8 96.67 Favored 'General case' 0 C--N 1.349 0.553 0 C-N-CA 124.13 0.972 . . . . 0.0 113.114 173.596 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 39.8 t -59.98 -43.21 95.27 Favored 'General case' 0 C--N 1.352 0.689 0 C-N-CA 124.625 1.17 . . . . 0.0 112.778 173.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 77.6 mt -67.18 -48.69 67.2 Favored 'General case' 0 C--N 1.345 0.409 0 O-C-N 120.395 -1.44 . . . . 0.0 113.02 172.458 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.03 -43.8 97.68 Favored 'General case' 0 C--N 1.348 0.515 0 N-CA-C 114.741 1.385 . . . . 0.0 114.741 -176.565 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.91 -44.15 90.52 Favored 'General case' 0 C--N 1.349 0.572 0 O-C-N 120.966 -1.084 . . . . 0.0 113.069 175.157 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.1 ttpm? -65.6 -36.61 84.25 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 125.648 1.579 . . . . 0.0 114.606 -179.221 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -92.07 6.0 48.13 Favored 'General case' 0 C--N 1.346 0.452 0 O-C-N 120.773 -1.204 . . . . 0.0 112.48 -177.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 95.84 83.32 1.65 Allowed Glycine 0 C--N 1.351 1.366 0 O-C-N 120.795 -1.19 . . . . 0.0 114.198 166.462 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -74.69 -7.24 19.2 Favored 'Trans proline' 0 C--N 1.331 -0.345 0 CA-C-N 122.037 2.918 . . . . 0.0 111.941 -166.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.2 tptt -62.49 -42.11 99.26 Favored 'General case' 0 N--CA 1.445 -0.69 0 O-C-N 120.964 -1.085 . . . . 0.0 113.611 176.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.3 pp -63.55 -38.47 91.25 Favored 'General case' 0 C--N 1.353 0.738 0 C-N-CA 123.758 0.823 . . . . 0.0 113.033 176.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -62.59 -45.33 93.4 Favored 'General case' 0 C--N 1.35 0.605 0 C-N-CA 125.286 1.434 . . . . 0.0 111.548 171.732 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 53.5 p -60.45 -41.58 94.36 Favored 'General case' 0 C--N 1.351 0.664 0 N-CA-C 115.666 1.728 . . . . 0.0 115.666 -177.465 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.4 pp -77.31 -16.27 59.03 Favored 'General case' 0 C--N 1.351 0.653 0 N-CA-C 114.807 1.41 . . . . 0.0 114.807 -166.627 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.8 t -120.53 23.5 4.82 Favored 'Isoleucine or valine' 0 C--N 1.35 0.604 0 CA-C-O 122.37 1.081 . . . . 0.0 108.099 169.391 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.39 8.9 t 62.67 -28.26 0.07 Allowed 'General case' 0 C--N 1.352 0.7 0 C-N-CA 129.496 3.118 . . . . 0.0 116.822 179.012 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -148.43 152.58 37.21 Favored 'General case' 0 C--N 1.346 0.418 0 O-C-N 120.106 -1.621 . . . . 0.0 109.162 168.379 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 69.2 mmtt -145.53 165.43 28.64 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 106.248 -1.76 . . . . 0.0 106.248 168.311 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 34.4 p . . . . . 0 C--N 1.345 0.381 0 O-C-N 121.487 -0.758 . . . . 0.0 109.901 168.631 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 . . . . . 0 N--CA 1.445 -0.722 0 CA-C-O 121.502 0.667 . . . . 0.0 109.98 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.2 mp -60.41 147.39 82.54 Favored Pre-proline 0 N--CA 1.45 -0.442 0 C-N-CA 125.85 1.66 . . . . 0.0 112.32 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_endo -62.99 -32.15 76.39 Favored 'Trans proline' 0 CA--C 1.516 -0.39 0 C-N-CA 122.992 2.461 . . . . 0.0 113.757 -168.28 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.1 tt -62.8 -43.54 98.86 Favored 'Isoleucine or valine' 0 C--N 1.347 0.487 0 CA-C-N 119.376 0.989 . . . . 0.0 113.02 172.466 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 79.4 mt -66.48 -43.0 86.63 Favored 'General case' 0 C--N 1.351 0.645 0 C-N-CA 125.162 1.385 . . . . 0.0 111.902 176.153 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.31 -44.05 97.41 Favored 'General case' 0 N--CA 1.446 -0.63 0 O-C-N 121.239 -0.913 . . . . 0.0 113.125 174.226 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.8 t -62.17 -47.83 82.76 Favored 'General case' 0 C--N 1.35 0.609 0 C-N-CA 124.19 0.996 . . . . 0.0 113.064 176.351 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.5 pp -65.71 -38.44 89.2 Favored 'General case' 0 C--N 1.353 0.758 0 O-C-N 119.997 -1.69 . . . . 0.0 113.224 175.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.31 -42.61 99.51 Favored 'General case' 0 C--N 1.35 0.625 0 O-C-N 120.496 -1.377 . . . . 0.0 113.774 173.686 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.24 -47.31 80.14 Favored 'General case' 0 C--N 1.35 0.607 0 C-N-CA 124.293 1.037 . . . . 0.0 113.331 172.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.0 tmtt? -63.89 -35.9 82.18 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 125.438 1.495 . . . . 0.0 113.805 178.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 -96.75 20.65 10.6 Favored 'General case' 0 C--N 1.346 0.443 0 O-C-N 120.344 -1.473 . . . . 0.0 112.709 176.739 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 92.28 95.61 1.38 Allowed Glycine 0 C--N 1.352 1.418 0 O-C-N 120.041 -1.662 . . . . 0.0 116.207 162.047 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_endo -96.84 -29.06 0.06 OUTLIER 'Trans proline' 0 CA--C 1.514 -0.513 0 CA-C-N 121.125 2.462 . . . . 0.0 110.652 -167.069 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.1 tptt -65.5 -34.12 77.53 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-N 120.48 1.491 . . . . 0.0 112.713 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.7 mp -59.87 -40.66 89.39 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 125.4 1.48 . . . . 0.0 112.095 172.01 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 38.0 t80 -65.86 -45.16 83.16 Favored 'General case' 0 C--N 1.356 0.868 0 O-C-N 120.858 -1.151 . . . . 0.0 111.299 169.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 27.0 t -58.25 -41.49 84.31 Favored 'General case' 0 C--N 1.346 0.454 0 N-CA-C 114.895 1.443 . . . . 0.0 114.895 -175.54 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.252 1.9 pp -63.91 -38.07 89.74 Favored 'General case' 0 C--N 1.35 0.598 0 N-CA-C 115.979 1.844 . . . . 0.0 115.979 -176.36 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.7 t -99.24 -1.21 10.08 Favored 'Isoleucine or valine' 0 C--N 1.352 0.689 0 O-C-N 120.479 -1.388 . . . . 0.0 109.996 176.227 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.438 6.1 t 45.81 52.98 9.27 Favored 'General case' 0 C--N 1.353 0.748 0 C-N-CA 127.263 2.225 . . . . 0.0 112.071 -162.237 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 171.82 136.18 0.03 OUTLIER 'General case' 0 C--N 1.349 0.565 0 C-N-CA 126.719 2.007 . . . . 0.0 107.346 -158.237 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.1 pttm -159.55 164.85 33.95 Favored 'General case' 0 CA--C 1.511 -0.528 0 O-C-N 120.631 -1.293 . . . . 0.0 108.082 155.262 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.3 t . . . . . 0 C--N 1.349 0.575 0 CA-C-O 121.89 0.852 . . . . 0.0 111.36 174.708 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 23.2 t80 . . . . . 0 N--CA 1.443 -0.782 0 CA-C-O 122.965 1.364 . . . . 0.0 108.684 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -57.33 -45.1 99.93 Favored Pre-proline 0 CA--C 1.538 0.501 0 CA-C-O 116.462 -1.732 . . . . 0.0 114.803 175.31 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -67.55 -33.2 29.4 Favored 'Trans proline' 0 C--N 1.345 0.36 0 CA-C-N 126.094 3.212 . . . . 0.0 113.916 -177.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 8.9 tp -67.74 -43.12 86.69 Favored 'Isoleucine or valine' 0 C--N 1.352 0.686 0 CA-C-N 120.551 1.523 . . . . 0.0 111.899 174.526 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 95.7 mt -61.42 -43.74 98.35 Favored 'General case' 0 C--N 1.352 0.7 0 O-C-N 120.384 -1.447 . . . . 0.0 112.88 172.747 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.73 -41.19 97.31 Favored 'General case' 0 C--N 1.349 0.564 0 C-N-CA 124.514 1.126 . . . . 0.0 113.329 174.481 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 44.1 t -59.3 -43.93 92.57 Favored 'General case' 0 C--N 1.351 0.668 0 C-N-CA 124.515 1.126 . . . . 0.0 112.617 174.565 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.9 mp -67.56 -47.72 69.01 Favored 'General case' 0 C--N 1.346 0.428 0 O-C-N 120.411 -1.43 . . . . 0.0 112.649 171.76 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.83 -43.99 97.33 Favored 'General case' 0 C--N 1.346 0.415 0 N-CA-C 115.015 1.487 . . . . 0.0 115.015 -176.455 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.7 -43.91 91.98 Favored 'General case' 0 C--N 1.35 0.603 0 O-C-N 121.159 -0.963 . . . . 0.0 112.982 175.379 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -64.92 -37.53 87.95 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 125.394 1.477 . . . . 0.0 113.81 178.13 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -94.44 16.59 14.85 Favored 'General case' 0 C--N 1.347 0.486 0 O-C-N 120.411 -1.431 . . . . 0.0 113.491 -177.337 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 95.12 83.58 1.63 Allowed Glycine 0 C--N 1.349 1.258 0 O-C-N 120.603 -1.31 . . . . 0.0 115.787 162.511 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -89.86 -20.39 1.18 Allowed 'Trans proline' 0 CA--C 1.511 -0.626 0 CA-C-N 120.796 2.298 . . . . 0.0 110.361 -166.523 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.2 tptp -66.74 -41.12 88.35 Favored 'General case' 0 C--N 1.35 0.591 0 O-C-N 120.625 -1.297 . . . . 0.0 113.226 178.726 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.4 mp -63.54 -44.52 93.93 Favored 'General case' 0 C--N 1.348 0.519 0 C-N-CA 124.883 1.273 . . . . 0.0 111.19 172.624 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.15 -46.26 91.29 Favored 'General case' 0 C--N 1.35 0.63 0 C-N-CA 124.417 1.087 . . . . 0.0 112.141 178.577 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.2 p -66.91 -41.5 87.02 Favored 'General case' 0 C--N 1.345 0.395 0 N-CA-C 115.444 1.646 . . . . 0.0 115.444 174.404 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.253 2.2 pp -69.48 -35.56 75.7 Favored 'General case' 0 C--N 1.357 0.892 0 O-C-N 119.893 -1.754 . . . . 0.0 114.418 -179.737 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 47.4 t -90.37 -9.2 10.52 Favored 'Isoleucine or valine' 0 C--N 1.35 0.596 0 O-C-N 120.462 -1.399 . . . . 0.0 110.331 179.464 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.383 3.0 t 55.51 9.67 0.41 Allowed 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 130.316 3.446 . . . . 0.0 115.962 -171.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -159.96 151.18 19.49 Favored 'General case' 0 N--CA 1.441 -0.884 0 N-CA-C 104.931 -2.248 . . . . 0.0 104.931 170.044 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.5 tmmt? -175.72 -49.7 0.01 OUTLIER 'General case' 0 C--N 1.35 0.602 0 CA-C-N 119.028 0.831 . . . . 0.0 108.882 -178.533 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 46.8 m . . . . . 0 C--N 1.35 0.589 0 N-CA-C 114.727 1.38 . . . . 0.0 114.727 176.307 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 50.8 p90 . . . . . 0 N--CA 1.443 -0.777 0 CA-C-O 121.669 0.747 . . . . 0.0 110.119 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 64.8 mt 57.86 57.98 7.01 Favored Pre-proline 0 C--N 1.349 0.555 0 C-N-CA 126.008 1.723 . . . . 0.0 114.239 -177.223 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo -61.27 -37.86 70.03 Favored 'Trans proline' 0 CA--C 1.513 -0.547 0 C-N-CA 123.703 2.936 . . . . 0.0 115.161 -155.168 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.5 tt -64.14 -44.32 97.57 Favored 'Isoleucine or valine' 0 C--N 1.347 0.464 0 CA-C-N 119.814 1.188 . . . . 0.0 113.207 176.47 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 85.9 mt -68.11 -42.46 80.22 Favored 'General case' 0 C--N 1.349 0.575 0 O-C-N 120.686 -1.259 . . . . 0.0 111.895 176.221 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.13 -44.08 97.43 Favored 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 124.267 1.027 . . . . 0.0 113.22 175.41 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 21.8 t -62.62 -45.31 93.44 Favored 'General case' 0 C--N 1.35 0.619 0 C-N-CA 124.306 1.043 . . . . 0.0 112.446 173.755 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.0 tt -60.87 -45.34 94.94 Favored 'General case' 0 C--N 1.351 0.65 0 O-C-N 120.581 -1.324 . . . . 0.0 112.737 176.282 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.62 -44.0 97.39 Favored 'General case' 0 C--N 1.35 0.595 0 C-N-CA 124.339 1.055 . . . . 0.0 113.438 174.145 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.03 -43.46 95.3 Favored 'General case' 0 C--N 1.351 0.661 0 C-N-CA 124.787 1.235 . . . . 0.0 112.635 175.758 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -72.75 -11.7 60.72 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 126.654 1.982 . . . . 0.0 113.38 179.664 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -104.15 0.04 29.12 Favored 'General case' 0 C--N 1.346 0.455 0 O-C-N 119.273 -2.142 . . . . 0.0 112.54 170.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 89.06 80.02 1.31 Allowed Glycine 0 C--N 1.349 1.255 0 O-C-N 120.688 -1.257 . . . . 0.0 114.463 170.177 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -92.04 8.4 2.97 Favored 'Trans proline' 0 CA--C 1.512 -0.591 0 CA-C-N 121.935 2.867 . . . . 0.0 110.062 -158.789 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -62.27 -38.9 91.11 Favored 'General case' 0 C--N 1.348 0.501 0 C-N-CA 125.12 1.368 . . . . 0.0 112.629 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.6 mp -62.26 -43.85 97.89 Favored 'General case' 0 C--N 1.348 0.542 0 C-N-CA 123.856 0.863 . . . . 0.0 111.542 175.127 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -65.61 -41.42 92.75 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 124.592 1.157 . . . . 0.0 112.987 176.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 86.4 p -66.28 -43.27 86.87 Favored 'General case' 0 C--N 1.351 0.658 0 N-CA-C 114.716 1.376 . . . . 0.0 114.716 173.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.8 pp -66.5 -32.56 73.99 Favored 'General case' 0 C--N 1.355 0.847 0 CA-C-N 119.836 1.198 . . . . 0.0 113.928 -178.646 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 22.8 m -88.95 8.59 2.86 Favored 'Isoleucine or valine' 0 C--N 1.351 0.668 0 O-C-N 120.325 -1.484 . . . . 0.0 111.068 174.44 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.37 10.9 t 44.68 53.92 6.92 Favored 'General case' 0 C--N 1.353 0.761 0 C-N-CA 128.244 2.618 . . . . 0.0 113.651 -178.192 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.7 mtmp? 70.02 -20.37 0.19 Allowed 'General case' 0 C--N 1.348 0.513 0 C-N-CA 126.318 1.847 . . . . 0.0 115.794 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.8 tmtt? -66.1 -41.86 90.06 Favored 'General case' 0 C--N 1.351 0.672 0 C-N-CA 125.358 1.463 . . . . 0.0 114.893 -173.783 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 9.5 t . . . . . 0 C--O 1.24 0.59 0 N-CA-C 116.031 1.863 . . . . 0.0 116.031 176.087 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 32.2 p90 . . . . . 0 N--CA 1.438 -1.039 0 CA-C-O 121.233 0.539 . . . . 0.0 109.619 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.9 mp -102.39 109.41 60.43 Favored Pre-proline 0 C--N 1.349 0.557 0 O-C-N 120.786 -1.196 . . . . 0.0 108.893 179.013 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -75.73 -28.06 8.34 Favored 'Trans proline' 0 CA--C 1.51 -0.7 0 CA-C-N 122.115 1.791 . . . . 0.0 111.846 -164.611 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 20.7 tt -62.64 -45.01 99.86 Favored 'Isoleucine or valine' 0 C--N 1.347 0.491 0 CA-C-N 119.204 0.911 . . . . 0.0 112.702 174.749 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 78.3 mt -66.47 -41.38 89.08 Favored 'General case' 0 C--N 1.35 0.596 0 O-C-N 120.626 -1.296 . . . . 0.0 112.291 175.459 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.81 -42.37 98.93 Favored 'General case' 0 C--N 1.349 0.555 0 N-CA-C 113.454 0.909 . . . . 0.0 113.454 174.594 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.9 t -61.18 -45.83 93.01 Favored 'General case' 0 C--N 1.35 0.6 0 C-N-CA 124.464 1.106 . . . . 0.0 112.735 174.274 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 85.2 mt -63.32 -43.89 96.5 Favored 'General case' 0 C--N 1.349 0.583 0 O-C-N 120.523 -1.361 . . . . 0.0 113.255 173.507 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.66 -41.74 97.96 Favored 'General case' 0 C--N 1.346 0.454 0 O-C-N 120.529 -1.357 . . . . 0.0 113.642 175.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.57 -45.71 91.7 Favored 'General case' 0 C--N 1.349 0.587 0 C-N-CA 124.451 1.1 . . . . 0.0 113.185 172.318 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -62.96 -38.45 91.12 Favored 'General case' 0 N--CA 1.45 -0.425 0 C-N-CA 125.761 1.624 . . . . 0.0 114.21 178.772 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -94.29 11.6 29.79 Favored 'General case' 0 C--N 1.348 0.503 0 O-C-N 120.808 -1.183 . . . . 0.0 113.158 -178.061 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 95.31 84.92 1.68 Allowed Glycine 0 C--N 1.35 1.309 0 O-C-N 120.493 -1.379 . . . . 0.0 115.206 164.498 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -82.32 -27.46 2.29 Favored 'Trans proline' 0 CA--C 1.511 -0.652 0 CA-C-N 121.23 2.515 . . . . 0.0 109.166 -168.405 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.5 tptt -64.45 -39.75 94.42 Favored 'General case' 0 C--N 1.35 0.595 0 O-C-N 121.325 -0.859 . . . . 0.0 112.221 173.161 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 57.7 tp -61.75 -42.01 98.42 Favored 'General case' 0 C--N 1.35 0.626 0 C-N-CA 124.771 1.229 . . . . 0.0 112.338 173.028 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -61.68 -44.65 96.55 Favored 'General case' 0 C--N 1.349 0.552 0 O-C-N 120.615 -1.303 . . . . 0.0 112.963 171.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 69.1 p -57.91 -38.34 75.68 Favored 'General case' 0 C--N 1.35 0.612 0 N-CA-C 117.666 2.469 . . . . 0.0 117.666 -168.755 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.14 -37.08 81.56 Favored 'General case' 0 C--N 1.352 0.7 0 N-CA-C 115.592 1.701 . . . . 0.0 115.592 -170.227 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.9 t -110.83 2.46 8.95 Favored 'Isoleucine or valine' 0 C--N 1.348 0.521 0 CA-C-O 122.32 1.057 . . . . 0.0 109.168 174.099 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.7 m 52.9 45.44 28.77 Favored 'General case' 0 C--N 1.356 0.865 0 C-N-CA 127.189 2.196 . . . . 0.0 111.673 -168.621 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.7 ttmt 168.17 93.36 0.0 OUTLIER 'General case' 0 C--N 1.35 0.627 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 -154.517 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -171.13 -49.74 0.02 OUTLIER 'General case' 0 C--N 1.354 0.795 0 O-C-N 119.781 -1.825 . . . . 0.0 113.029 178.874 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 13.2 t . . . . . 0 C--N 1.347 0.482 0 O-C-N 121.243 -0.911 . . . . 0.0 110.467 178.942 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 . . . . . 0 N--CA 1.442 -0.856 0 CA-C-O 121.906 0.86 . . . . 0.0 108.689 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.6 tt -146.65 -62.76 0.02 OUTLIER Pre-proline 0 N--CA 1.45 -0.442 0 CA-C-O 116.835 -1.555 . . . . 0.0 110.032 178.034 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -66.61 -32.3 38.9 Favored 'Trans proline' 0 C--N 1.347 0.449 0 CA-C-N 125.324 2.937 . . . . 0.0 113.422 -172.653 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 20.6 tt -63.64 -45.06 98.52 Favored 'Isoleucine or valine' 0 C--N 1.348 0.513 0 CA-C-N 119.622 1.101 . . . . 0.0 112.611 174.156 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 74.9 mt -65.15 -43.71 90.93 Favored 'General case' 0 C--N 1.35 0.589 0 C-N-CA 124.862 1.265 . . . . 0.0 112.041 176.513 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.83 -42.01 98.5 Favored 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 124.54 1.136 . . . . 0.0 113.071 174.281 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 30.7 t -60.3 -42.57 95.81 Favored 'General case' 0 C--N 1.351 0.657 0 O-C-N 121.002 -1.061 . . . . 0.0 112.683 174.588 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 72.3 mt -66.68 -48.82 68.12 Favored 'General case' 0 C--N 1.346 0.421 0 O-C-N 120.116 -1.615 . . . . 0.0 112.988 171.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.32 -44.08 95.98 Favored 'General case' 0 C--N 1.348 0.503 0 N-CA-C 114.926 1.454 . . . . 0.0 114.926 -176.656 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.28 -44.15 88.94 Favored 'General case' 0 N--CA 1.448 -0.556 0 O-C-N 120.989 -1.07 . . . . 0.0 113.163 175.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.7 ttmp? -64.81 -37.58 88.1 Favored 'General case' 0 C--N 1.347 0.464 0 C-N-CA 125.477 1.511 . . . . 0.0 114.084 -178.257 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -93.26 8.55 39.82 Favored 'General case' 0 C--N 1.346 0.449 0 O-C-N 121.066 -1.021 . . . . 0.0 112.632 -177.032 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 95.55 85.38 1.7 Allowed Glycine 0 C--N 1.35 1.357 0 O-C-N 120.693 -1.255 . . . . 0.0 114.501 166.655 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -75.31 -21.59 15.14 Favored 'Trans proline' 0 CA--C 1.514 -0.493 0 CA-C-N 121.762 2.781 . . . . 0.0 111.061 -164.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -62.04 -38.16 87.68 Favored 'General case' 0 C--N 1.349 0.546 0 C-N-CA 123.684 0.794 . . . . 0.0 112.569 172.771 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.6 mp -63.91 -39.86 95.16 Favored 'General case' 0 C--N 1.35 0.617 0 C-N-CA 125.409 1.484 . . . . 0.0 111.531 177.117 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -64.29 -50.57 67.36 Favored 'General case' 0 C--N 1.351 0.647 0 O-C-N 120.842 -1.161 . . . . 0.0 111.63 167.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.5 t -60.46 -39.18 86.67 Favored 'General case' 0 C--N 1.348 0.528 0 C-N-CA 125.899 1.68 . . . . 0.0 115.233 -172.32 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.1 pp -70.85 -16.09 62.68 Favored 'General case' 0 C--N 1.347 0.495 0 N-CA-C 114.97 1.47 . . . . 0.0 114.97 -171.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.4 t -114.53 1.14 8.5 Favored 'Isoleucine or valine' 0 C--N 1.352 0.704 0 CA-C-O 122.763 1.268 . . . . 0.0 108.504 169.185 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.428 7.7 t 37.26 58.73 1.21 Allowed 'General case' 0 C--N 1.353 0.748 0 C-N-CA 128.372 2.669 . . . . 0.0 113.544 -161.144 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 167.49 119.13 0.01 OUTLIER 'General case' 0 C--N 1.352 0.713 0 C-N-CA 126.334 1.854 . . . . 0.0 109.341 -162.36 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.64 168.14 22.13 Favored 'General case' 0 N--CA 1.448 -0.531 0 O-C-N 120.407 -1.433 . . . . 0.0 107.226 160.853 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.0 t . . . . . 0 C--N 1.35 0.624 0 C-N-CA 124.609 1.164 . . . . 0.0 112.292 -171.69 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 . . . . . 0 N--CA 1.444 -0.746 0 CA-C-O 121.567 0.699 . . . . 0.0 110.433 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.7 mp -60.2 143.96 88.03 Favored Pre-proline 0 N--CA 1.45 -0.441 0 C-N-CA 125.551 1.541 . . . . 0.0 113.588 -174.192 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -64.83 -31.0 58.19 Favored 'Trans proline' 0 N--CA 1.461 -0.418 0 C-N-CA 122.744 2.296 . . . . 0.0 113.037 -169.677 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 7.9 tp -63.56 -47.67 90.41 Favored 'Isoleucine or valine' 0 C--N 1.347 0.48 0 CA-C-N 119.319 0.963 . . . . 0.0 113.497 175.417 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.7 pp -71.01 -36.97 72.62 Favored 'General case' 0 C--N 1.353 0.719 0 O-C-N 120.002 -1.687 . . . . 0.0 112.013 177.222 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.5 -41.81 97.84 Favored 'General case' 0 C--N 1.351 0.672 0 O-C-N 121.104 -0.997 . . . . 0.0 113.018 173.204 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 42.0 t -59.54 -43.08 93.6 Favored 'General case' 0 C--N 1.351 0.668 0 C-N-CA 124.795 1.238 . . . . 0.0 112.728 174.022 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 83.5 mt -67.55 -48.09 67.97 Favored 'General case' 0 C--N 1.346 0.435 0 O-C-N 120.576 -1.328 . . . . 0.0 113.146 172.33 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.05 -43.64 98.05 Favored 'General case' 0 C--N 1.348 0.528 0 N-CA-C 114.756 1.391 . . . . 0.0 114.756 -176.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.93 -44.18 90.34 Favored 'General case' 0 C--N 1.349 0.553 0 O-C-N 120.986 -1.071 . . . . 0.0 113.045 175.041 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.7 ttpm? -65.98 -37.12 85.16 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 125.579 1.551 . . . . 0.0 114.562 -179.569 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -93.04 8.38 40.24 Favored 'General case' 0 C--N 1.347 0.477 0 O-C-N 120.77 -1.206 . . . . 0.0 112.727 -177.502 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 97.03 84.54 1.74 Allowed Glycine 0 C--N 1.35 1.315 0 O-C-N 120.698 -1.251 . . . . 0.0 114.297 167.243 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -76.67 -16.43 16.64 Favored 'Trans proline' 0 CA--C 1.514 -0.525 0 CA-C-N 121.827 2.813 . . . . 0.0 110.803 -165.343 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.9 mmtt -65.21 -32.28 73.88 Favored 'General case' 0 C--N 1.35 0.612 0 O-C-N 121.208 -0.932 . . . . 0.0 113.206 172.694 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 76.1 mt -62.25 -43.01 99.79 Favored 'General case' 0 C--N 1.352 0.694 0 C-N-CA 124.365 1.066 . . . . 0.0 112.276 174.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 38.0 t80 -63.71 -47.7 80.07 Favored 'General case' 0 C--N 1.353 0.729 0 O-C-N 121.224 -0.922 . . . . 0.0 111.537 169.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 31.2 t -58.93 -39.68 82.32 Favored 'General case' 0 C--N 1.35 0.599 0 C-N-CA 126.028 1.731 . . . . 0.0 114.825 -174.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.4 pp -61.83 -33.52 74.3 Favored 'General case' 0 C--N 1.348 0.529 0 N-CA-C 115.936 1.828 . . . . 0.0 115.936 -175.132 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.8 t -103.92 -0.21 10.12 Favored 'Isoleucine or valine' 0 C--N 1.354 0.778 0 CA-C-O 123.149 1.452 . . . . 0.0 109.43 171.365 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.431 5.7 t 42.36 53.52 4.51 Favored 'General case' 0 C--N 1.35 0.626 0 C-N-CA 128.445 2.698 . . . . 0.0 112.988 -164.581 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 164.49 109.26 0.0 OUTLIER 'General case' 0 C--N 1.354 0.792 0 C-N-CA 127.277 2.231 . . . . 0.0 109.372 -164.129 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 52.4 mttm -155.27 165.74 35.73 Favored 'General case' 0 C--N 1.347 0.482 0 N-CA-C 106.716 -1.586 . . . . 0.0 106.716 161.453 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 47.6 t . . . . . 0 CA--C 1.508 -0.653 0 N-CA-C 105.827 -1.916 . . . . 0.0 105.827 172.736 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 . . . . . 0 N--CA 1.445 -0.705 0 CA-C-O 121.668 0.747 . . . . 0.0 109.84 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 75.3 mt -114.75 70.93 2.41 Favored Pre-proline 0 C--O 1.235 0.336 0 C-N-CA 124.207 1.003 . . . . 0.0 111.079 -178.347 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -69.87 -35.72 11.81 Favored 'Trans proline' 0 CA--C 1.514 -0.511 0 C-N-CA 122.754 2.303 . . . . 0.0 114.001 -156.369 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.1 tt -64.86 -48.43 84.35 Favored 'Isoleucine or valine' 0 C--N 1.347 0.48 0 CA-C-N 119.815 1.189 . . . . 0.0 113.599 -178.25 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.1 pp -71.07 -34.63 71.37 Favored 'General case' 0 C--N 1.35 0.596 0 O-C-N 120.151 -1.593 . . . . 0.0 112.481 176.157 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.42 -41.2 96.79 Favored 'General case' 0 C--N 1.353 0.732 0 O-C-N 120.946 -1.096 . . . . 0.0 112.928 171.776 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 33.2 t -60.09 -42.82 95.45 Favored 'General case' 0 C--N 1.35 0.63 0 C-N-CA 124.436 1.095 . . . . 0.0 112.757 173.465 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.8 mp -66.33 -48.38 70.45 Favored 'General case' 0 C--N 1.347 0.495 0 O-C-N 119.986 -1.696 . . . . 0.0 112.74 171.687 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.68 -43.35 99.02 Favored 'General case' 0 C--N 1.346 0.426 0 N-CA-C 114.624 1.342 . . . . 0.0 114.624 -176.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.3 -43.31 95.14 Favored 'General case' 0 C--N 1.348 0.523 0 O-C-N 120.976 -1.077 . . . . 0.0 113.218 174.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.8 ttmp? -65.52 -37.49 86.9 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 125.615 1.566 . . . . 0.0 114.216 -179.1 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -93.99 8.56 40.96 Favored 'General case' 0 C--N 1.348 0.502 0 O-C-N 120.973 -1.08 . . . . 0.0 112.936 -176.184 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 98.72 81.62 1.61 Allowed Glycine 0 C--N 1.351 1.378 0 O-C-N 120.591 -1.318 . . . . 0.0 115.031 165.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -79.88 -22.18 7.72 Favored 'Trans proline' 0 CA--C 1.513 -0.572 0 CA-C-N 121.574 2.687 . . . . 0.0 110.284 -165.424 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -65.29 -37.03 85.9 Favored 'General case' 0 C--N 1.347 0.47 0 C-N-CA 124.096 0.959 . . . . 0.0 113.119 173.35 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.5 mp -62.89 -35.69 80.88 Favored 'General case' 0 C--N 1.349 0.587 0 C-N-CA 125.055 1.342 . . . . 0.0 111.109 175.589 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -69.3 -53.0 21.92 Favored 'General case' 0 C--N 1.35 0.612 0 O-C-N 120.941 -1.099 . . . . 0.0 112.773 166.22 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 53.3 p -61.24 -36.35 79.72 Favored 'General case' 0 C--N 1.353 0.738 0 N-CA-C 115.808 1.781 . . . . 0.0 115.808 -166.483 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.8 pp -57.3 -37.42 72.42 Favored 'General case' 0 C--N 1.35 0.608 0 N-CA-C 115.475 1.657 . . . . 0.0 115.475 -173.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.1 p -112.74 -5.98 11.63 Favored 'Isoleucine or valine' 0 C--N 1.349 0.584 0 O-C-N 120.741 -1.225 . . . . 0.0 110.544 173.554 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.478 2.1 t 54.37 45.15 27.77 Favored 'General case' 0 C--N 1.348 0.529 0 C-N-CA 128.93 2.892 . . . . 0.0 114.912 -170.187 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.1 mptt -158.09 155.17 28.74 Favored 'General case' 0 C--N 1.355 0.834 0 O-C-N 120.512 -1.367 . . . . 0.0 108.457 172.231 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.95 169.84 22.5 Favored 'General case' 0 C--N 1.346 0.452 0 N-CA-C 104.333 -2.469 . . . . 0.0 104.333 163.292 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 47.4 t . . . . . 0 CA--C 1.507 -0.679 0 N-CA-C 105.728 -1.953 . . . . 0.0 105.728 172.238 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 . . . . . 0 N--CA 1.444 -0.753 0 CA-C-O 121.1 0.476 . . . . 0.0 109.924 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 64.1 mt 52.13 55.33 14.96 Favored Pre-proline 0 C--N 1.348 0.535 0 C-N-CA 126.319 1.848 . . . . 0.0 114.947 -178.799 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -66.05 -35.93 31.95 Favored 'Trans proline' 0 CA--C 1.513 -0.564 0 C-N-CA 122.803 2.336 . . . . 0.0 114.561 -150.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.3 tt -64.71 -48.22 85.5 Favored 'Isoleucine or valine' 0 C--N 1.348 0.503 0 CA-C-N 119.972 1.26 . . . . 0.0 113.861 -179.555 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.0 pp -71.95 -37.44 69.97 Favored 'General case' 0 C--N 1.351 0.653 0 O-C-N 120.217 -1.552 . . . . 0.0 112.049 176.054 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.3 -45.5 92.99 Favored 'General case' 0 C--N 1.351 0.66 0 O-C-N 121.154 -0.966 . . . . 0.0 113.256 175.598 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 23.2 t -63.82 -44.74 92.33 Favored 'General case' 0 C--N 1.35 0.589 0 O-C-N 120.954 -1.091 . . . . 0.0 112.41 174.135 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 35.9 tp -60.07 -45.23 93.59 Favored 'General case' 0 C--N 1.351 0.657 0 O-C-N 120.667 -1.27 . . . . 0.0 112.532 178.066 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.63 -46.87 80.7 Favored 'General case' 0 N--CA 1.445 -0.707 0 C-N-CA 125.179 1.392 . . . . 0.0 113.667 172.556 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.84 -42.23 88.82 Favored 'General case' 0 C--N 1.353 0.735 0 C-N-CA 125.649 1.58 . . . . 0.0 113.12 -178.176 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.53 -45.75 90.86 Favored 'General case' 0 N--CA 1.445 -0.678 0 C-N-CA 127.123 2.169 . . . . 0.0 113.465 171.87 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -67.58 -45.17 76.31 Favored 'General case' 0 C--N 1.357 0.902 0 O-C-N 120.439 -1.413 . . . . 0.0 112.316 173.174 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 121.53 97.92 1.52 Allowed Glycine 0 C--N 1.344 0.989 0 N-CA-C 115.886 1.114 . . . . 0.0 115.886 172.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_endo -92.43 13.98 1.78 Allowed 'Trans proline' 0 N--CA 1.454 -0.85 0 C-N-CA 122.14 1.893 . . . . 0.0 108.22 173.43 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.5 mptt -58.89 -42.44 89.51 Favored 'General case' 0 C--N 1.35 0.588 0 C-N-CA 125.563 1.545 . . . . 0.0 112.144 -176.015 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.9 mp -64.42 -42.8 95.83 Favored 'General case' 0 C--N 1.351 0.632 0 C-N-CA 124.544 1.137 . . . . 0.0 112.219 171.734 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -63.69 -40.62 97.26 Favored 'General case' 0 C--N 1.348 0.533 0 C-N-CA 125.249 1.419 . . . . 0.0 112.872 179.732 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.5 p -64.87 -43.61 92.4 Favored 'General case' 0 C--N 1.349 0.562 0 N-CA-C 114.542 1.312 . . . . 0.0 114.542 172.015 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.5 pp -74.02 -22.86 59.42 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 120.258 1.39 . . . . 0.0 113.893 -178.293 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.7 p -93.27 7.61 5.64 Favored 'Isoleucine or valine' 0 C--N 1.351 0.654 0 O-C-N 120.461 -1.399 . . . . 0.0 110.003 171.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.381 9.1 t 44.89 52.34 8.14 Favored 'General case' 0 C--N 1.352 0.709 0 C-N-CA 128.24 2.616 . . . . 0.0 114.464 179.514 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.7 mtmm 77.7 -15.65 0.73 Allowed 'General case' 0 C--N 1.349 0.572 0 C-N-CA 127.181 2.192 . . . . 0.0 114.415 176.211 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.4 tmtt? -66.31 -41.61 89.46 Favored 'General case' 0 C--N 1.351 0.647 0 N-CA-C 115.027 1.491 . . . . 0.0 115.027 -171.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.7 t . . . . . 0 C--O 1.241 0.617 0 N-CA-C 115.898 1.814 . . . . 0.0 115.898 175.212 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 . . . . . 0 N--CA 1.441 -0.89 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 8.2 tt -58.82 -46.26 99.56 Favored Pre-proline 0 C--N 1.345 0.411 0 CA-C-O 116.806 -1.568 . . . . 0.0 115.071 178.504 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -70.62 -34.18 12.14 Favored 'Trans proline' 0 N--CA 1.459 -0.514 0 CA-C-N 125.522 3.008 . . . . 0.0 112.71 -177.684 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 7.9 tp -67.59 -45.57 84.78 Favored 'Isoleucine or valine' 0 C--N 1.351 0.634 0 CA-C-N 120.304 1.411 . . . . 0.0 112.683 177.514 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.9 pp -65.32 -39.16 92.11 Favored 'General case' 0 C--N 1.354 0.786 0 O-C-N 120.022 -1.674 . . . . 0.0 112.952 174.763 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.51 -41.55 98.91 Favored 'General case' 0 C--N 1.353 0.722 0 O-C-N 120.695 -1.253 . . . . 0.0 113.397 173.271 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 34.3 t -59.62 -44.77 93.32 Favored 'General case' 0 C--N 1.349 0.578 0 C-N-CA 124.949 1.299 . . . . 0.0 112.471 175.453 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 85.4 mt -65.94 -47.19 75.47 Favored 'General case' 0 C--N 1.347 0.46 0 O-C-N 121.258 -0.901 . . . . 0.0 113.089 172.335 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.18 -40.74 95.06 Favored 'General case' 0 C--N 1.349 0.57 0 O-C-N 120.607 -1.308 . . . . 0.0 114.098 -179.262 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.2 -44.37 97.4 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 124.281 1.032 . . . . 0.0 113.397 173.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 31.4 mtmm -66.77 -36.33 82.16 Favored 'General case' 0 C--N 1.349 0.555 0 N-CA-C 113.909 1.077 . . . . 0.0 113.909 174.492 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -91.0 11.51 22.67 Favored 'General case' 0 C--N 1.346 0.42 0 O-C-N 120.269 -1.519 . . . . 0.0 113.182 -175.23 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 96.58 86.29 1.78 Allowed Glycine 0 C--N 1.351 1.37 0 C-N-CA 124.545 1.069 . . . . 0.0 114.844 164.51 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -80.67 -42.58 0.13 Allowed 'Trans proline' 0 N--CA 1.459 -0.519 0 CA-C-N 121.733 2.766 . . . . 0.0 111.943 -165.431 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 49.4 tptt -76.18 -19.64 58.24 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-N 120.218 1.372 . . . . 0.0 112.034 177.571 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 87.3 mt -64.4 -36.41 84.06 Favored 'General case' 0 N--CA 1.45 -0.443 0 O-C-N 120.555 -1.341 . . . . 0.0 111.955 167.417 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -69.95 -47.39 62.52 Favored 'General case' 0 C--N 1.352 0.677 0 O-C-N 120.241 -1.537 . . . . 0.0 112.633 166.176 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 82.7 p -92.11 16.98 10.17 Favored 'General case' 0 C--N 1.349 0.557 0 O-C-N 120.071 -1.643 . . . . 0.0 114.673 -167.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.275 3.5 pp -70.09 -45.22 67.41 Favored 'General case' 0 C--N 1.347 0.499 0 O-C-N 119.498 -2.001 . . . . 0.0 113.37 162.113 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 15.7 m -119.13 9.02 6.71 Favored 'Isoleucine or valine' 0 C--N 1.354 0.763 0 O-C-N 121.042 -1.036 . . . . 0.0 110.99 172.602 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.467 4.1 t 53.3 59.82 4.14 Favored 'General case' 0 C--N 1.35 0.594 0 C-N-CA 126.868 2.067 . . . . 0.0 113.618 -173.9 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.0 mtmm 171.02 124.24 0.02 OUTLIER 'General case' 0 C--N 1.352 0.695 0 C-N-CA 127.758 2.423 . . . . 0.0 107.881 -171.536 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.4 pttp -161.45 170.51 19.86 Favored 'General case' 0 C--N 1.347 0.496 0 O-C-N 121.093 -1.004 . . . . 0.0 108.419 158.313 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 57.4 m . . . . . 0 C--N 1.352 0.682 0 N-CA-C 114.301 1.223 . . . . 0.0 114.301 168.417 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 53.5 p90 . . . . . 0 N--CA 1.437 -1.083 0 CA-C-O 121.36 0.6 . . . . 0.0 109.899 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.9 mp -119.63 145.24 38.7 Favored Pre-proline 0 C--N 1.348 0.521 0 N-CA-C 107.066 -1.457 . . . . 0.0 107.066 176.212 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -65.16 -31.69 53.74 Favored 'Trans proline' 0 N--CA 1.462 -0.357 0 C-N-CA 122.892 2.395 . . . . 0.0 113.004 -172.716 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 20.9 tt -63.31 -47.44 92.02 Favored 'Isoleucine or valine' 0 C--N 1.348 0.542 0 CA-C-N 119.487 1.04 . . . . 0.0 113.738 177.064 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.4 pp -69.6 -35.87 75.7 Favored 'General case' 0 C--N 1.353 0.728 0 O-C-N 120.164 -1.585 . . . . 0.0 112.416 176.229 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.46 -42.09 99.23 Favored 'General case' 0 C--N 1.351 0.643 0 O-C-N 120.885 -1.135 . . . . 0.0 113.095 172.141 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 28.5 t -60.45 -41.96 95.18 Favored 'General case' 0 C--N 1.35 0.629 0 C-N-CA 124.566 1.147 . . . . 0.0 112.643 173.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 82.8 mt -65.93 -49.95 66.13 Favored 'General case' 0 C--N 1.347 0.466 0 O-C-N 120.169 -1.582 . . . . 0.0 113.341 171.15 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.29 -44.37 95.25 Favored 'General case' 0 C--N 1.347 0.477 0 N-CA-C 114.618 1.34 . . . . 0.0 114.618 -176.26 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.02 -43.38 95.78 Favored 'General case' 0 C--N 1.349 0.56 0 O-C-N 121.032 -1.042 . . . . 0.0 113.179 176.641 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.7 ttmp? -65.94 -38.5 88.78 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 125.64 1.576 . . . . 0.0 114.346 -178.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -77.15 -14.8 59.73 Favored 'General case' 0 C--N 1.349 0.562 0 O-C-N 121.294 -0.878 . . . . 0.0 112.996 177.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 100.99 85.05 1.84 Allowed Glycine 0 C--N 1.35 1.348 0 O-C-N 120.778 -1.201 . . . . 0.0 113.896 170.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -92.12 12.03 2.19 Favored 'Trans proline' 0 CA--C 1.515 -0.47 0 CA-C-N 121.863 2.831 . . . . 0.0 109.81 -160.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 47.7 mtpt -59.76 -44.26 93.94 Favored 'General case' 0 C--N 1.349 0.553 0 N-CA-C 114.158 1.169 . . . . 0.0 114.158 -171.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.4 tt -61.81 -45.74 92.51 Favored 'General case' 0 C--N 1.35 0.611 0 CA-C-O 122.003 0.906 . . . . 0.0 111.973 179.252 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -63.04 -39.51 94.97 Favored 'General case' 0 C--N 1.348 0.527 0 O-C-N 120.928 -1.108 . . . . 0.0 112.563 176.579 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 51.9 p -64.73 -45.79 85.03 Favored 'General case' 0 C--N 1.351 0.647 0 N-CA-C 115.083 1.512 . . . . 0.0 115.083 173.506 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.2 pp -76.24 -23.67 54.55 Favored 'General case' 0 C--N 1.356 0.887 0 O-C-N 120.585 -1.322 . . . . 0.0 113.429 -175.369 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.8 p -90.78 1.75 7.98 Favored 'Isoleucine or valine' 0 C--N 1.35 0.598 0 CA-C-O 123.138 1.447 . . . . 0.0 109.255 173.239 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.408 10.8 t 47.36 57.09 6.15 Favored 'General case' 0 C--N 1.352 0.717 0 C-N-CA 129.448 3.099 . . . . 0.0 113.723 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.7 mtmp? 72.12 106.67 0.07 Allowed 'General case' 0 C--N 1.349 0.575 0 C-N-CA 126.233 1.813 . . . . 0.0 111.477 179.524 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.3 mtmm 160.24 161.5 0.01 OUTLIER 'General case' 0 C--N 1.347 0.491 0 C-N-CA 129.297 3.039 . . . . 0.0 103.229 -173.452 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 26.8 p . . . . . 0 C--N 1.349 0.561 0 C-N-CA 125.367 1.467 . . . . 0.0 112.878 -173.225 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 10.3 t80 . . . . . 0 N--CA 1.44 -0.932 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 78.0 mt -60.68 145.06 88.54 Favored Pre-proline 0 C--N 1.348 0.537 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 -178.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -64.88 -31.57 56.68 Favored 'Trans proline' 0 CA--C 1.515 -0.439 0 C-N-CA 122.982 2.455 . . . . 0.0 113.271 -169.228 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.2 tt -63.04 -43.58 99.11 Favored 'Isoleucine or valine' 0 C--N 1.347 0.467 0 CA-C-N 119.284 0.947 . . . . 0.0 112.937 173.376 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 78.3 mt -66.81 -42.53 85.74 Favored 'General case' 0 C--N 1.349 0.566 0 C-N-CA 124.892 1.277 . . . . 0.0 111.888 175.558 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.2 -43.11 99.57 Favored 'General case' 0 N--CA 1.447 -0.622 0 C-N-CA 124.142 0.977 . . . . 0.0 113.289 174.736 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 19.9 t -61.78 -44.54 96.68 Favored 'General case' 0 C--N 1.349 0.577 0 C-N-CA 124.625 1.17 . . . . 0.0 112.663 173.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.0 tt -62.02 -45.2 94.66 Favored 'General case' 0 C--N 1.35 0.598 0 O-C-N 120.786 -1.196 . . . . 0.0 112.667 174.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.64 -41.83 99.25 Favored 'General case' 0 C--N 1.348 0.527 0 O-C-N 120.63 -1.294 . . . . 0.0 113.572 174.48 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.59 -41.9 98.09 Favored 'General case' 0 C--N 1.349 0.577 0 C-N-CA 124.955 1.302 . . . . 0.0 113.408 174.205 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.9 tptt -58.8 -40.46 84.13 Favored 'General case' 0 C--N 1.347 0.49 0 C-N-CA 126.177 1.791 . . . . 0.0 114.633 -176.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -98.72 5.29 47.71 Favored 'General case' 0 C--N 1.346 0.455 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 -174.087 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 98.34 79.96 1.5 Allowed Glycine 0 C--N 1.35 1.328 0 O-C-N 120.6 -1.313 . . . . 0.0 114.553 170.148 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -78.44 -7.5 15.92 Favored 'Trans proline' 0 CA--C 1.515 -0.458 0 CA-C-N 121.063 2.432 . . . . 0.0 111.191 -166.007 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.7 tmtm? -62.61 -39.69 94.59 Favored 'General case' 0 N--CA 1.447 -0.589 0 O-C-N 121.149 -0.969 . . . . 0.0 112.607 178.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.0 mp -60.21 -44.11 95.42 Favored 'General case' 0 C--N 1.349 0.558 0 C-N-CA 124.401 1.08 . . . . 0.0 111.749 176.195 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -62.91 -41.05 99.32 Favored 'General case' 0 C--N 1.347 0.481 0 C-N-CA 124.527 1.131 . . . . 0.0 112.667 174.314 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 39.9 p -63.58 -44.57 93.67 Favored 'General case' 0 C--N 1.353 0.738 0 N-CA-C 115.221 1.563 . . . . 0.0 115.221 174.771 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.0 pp -71.56 -35.08 70.48 Favored 'General case' 0 C--N 1.354 0.783 0 O-C-N 120.692 -1.255 . . . . 0.0 113.409 -177.126 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.3 p -76.32 -17.69 15.12 Favored 'Isoleucine or valine' 0 C--N 1.351 0.664 0 O-C-N 120.294 -1.504 . . . . 0.0 111.314 173.002 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.476 6.6 t 59.56 52.69 5.52 Favored 'General case' 0 C--N 1.353 0.748 0 C-N-CA 130.572 3.549 . . . . 0.0 114.611 -177.559 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.17 59.2 3.16 Favored 'General case' 0 C--N 1.36 1.053 0 CA-C-O 123.01 1.386 . . . . 0.0 111.303 173.25 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -159.77 154.9 24.98 Favored 'General case' 0 N--CA 1.445 -0.683 0 N-CA-C 106.143 -1.799 . . . . 0.0 106.143 -161.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 45.4 m . . . . . 0 C--N 1.348 0.53 0 C-N-CA 124.721 1.208 . . . . 0.0 112.747 -174.926 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo . . . . . 0 CA--C 1.514 -0.496 0 CA-C-O 119.288 -0.38 . . . . 0.0 112.909 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 20.9 tt -64.08 -44.97 97.81 Favored 'Isoleucine or valine' 0 C--N 1.346 0.456 0 CA-C-N 119.161 0.891 . . . . 0.0 112.654 174.089 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 72.9 mt -67.05 -41.06 87.14 Favored 'General case' 0 N--CA 1.449 -0.518 0 O-C-N 120.438 -1.414 . . . . 0.0 112.15 176.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.12 -41.03 95.95 Favored 'General case' 0 C--N 1.348 0.534 0 C-N-CA 124.929 1.291 . . . . 0.0 113.043 172.45 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 42.4 t -59.55 -43.02 93.64 Favored 'General case' 0 C--N 1.351 0.671 0 O-C-N 120.95 -1.094 . . . . 0.0 112.775 173.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.9 mp -66.69 -48.33 69.61 Favored 'General case' 0 C--N 1.347 0.464 0 O-C-N 120.366 -1.459 . . . . 0.0 112.602 171.041 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.61 -43.47 98.74 Favored 'General case' 0 C--N 1.347 0.469 0 N-CA-C 114.918 1.451 . . . . 0.0 114.918 -176.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.46 -43.73 93.29 Favored 'General case' 0 N--CA 1.448 -0.543 0 O-C-N 120.925 -1.109 . . . . 0.0 113.041 174.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -65.7 -36.78 84.59 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 125.737 1.615 . . . . 0.0 114.345 179.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -93.21 8.59 39.62 Favored 'General case' 0 C--N 1.347 0.467 0 O-C-N 120.775 -1.203 . . . . 0.0 112.95 -177.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 99.7 84.58 1.8 Allowed Glycine 0 C--N 1.35 1.353 0 O-C-N 120.664 -1.272 . . . . 0.0 115.526 164.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -80.88 -14.12 11.3 Favored 'Trans proline' 0 N--CA 1.457 -0.629 0 CA-C-N 121.401 2.601 . . . . 0.0 110.257 -172.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.7 tptp -66.44 -41.56 88.96 Favored 'General case' 0 C--N 1.349 0.544 0 N-CA-C 114.224 1.194 . . . . 0.0 114.224 178.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.76 -40.57 88.28 Favored 'General case' 0 C--N 1.351 0.665 0 O-C-N 121.45 -0.781 . . . . 0.0 112.803 173.532 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -63.39 -46.68 85.34 Favored 'General case' 0 C--N 1.353 0.745 0 O-C-N 120.684 -1.26 . . . . 0.0 112.753 174.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.3 p -64.57 -32.49 74.16 Favored 'General case' 0 C--N 1.345 0.4 0 N-CA-C 115.981 1.845 . . . . 0.0 115.981 -176.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.283 2.3 pp -63.66 -38.71 92.15 Favored 'General case' 0 C--N 1.353 0.734 0 N-CA-C 116.038 1.866 . . . . 0.0 116.038 -175.177 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.1 t . . . . . 0 C--N 1.354 0.769 0 O-C-N 120.506 -1.371 . . . . 0.0 109.364 171.957 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_endo . . . . . 0 CA--C 1.516 -0.389 0 N-CA-C 114.888 1.072 . . . . 0.0 114.888 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 8.7 tp -64.44 -44.22 97.01 Favored 'Isoleucine or valine' 0 C--N 1.347 0.48 0 CA-C-N 119.954 1.252 . . . . 0.0 112.953 174.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 78.5 mt -67.57 -42.13 83.06 Favored 'General case' 0 C--N 1.349 0.555 0 O-C-N 120.67 -1.269 . . . . 0.0 111.763 175.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.6 -42.13 98.44 Favored 'General case' 0 C--N 1.349 0.552 0 C-N-CA 124.286 1.034 . . . . 0.0 113.14 174.081 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 35.9 t -59.86 -42.55 93.94 Favored 'General case' 0 C--N 1.352 0.691 0 C-N-CA 124.926 1.29 . . . . 0.0 112.525 173.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.2 tt -66.33 -50.93 61.94 Favored 'General case' 0 C--N 1.347 0.487 0 O-C-N 120.781 -1.2 . . . . 0.0 112.347 172.013 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.35 -43.23 99.3 Favored 'General case' 0 C--N 1.348 0.504 0 N-CA-C 114.639 1.348 . . . . 0.0 114.639 -175.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.93 -41.63 99.54 Favored 'General case' 0 C--N 1.348 0.541 0 O-C-N 121.018 -1.051 . . . . 0.0 113.179 175.052 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.9 ttpm? -78.22 -19.27 54.15 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 124.617 1.167 . . . . 0.0 113.654 -175.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -96.49 2.92 52.93 Favored 'General case' 0 C--N 1.347 0.486 0 O-C-N 120.924 -1.11 . . . . 0.0 111.598 177.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 94.69 79.66 1.46 Allowed Glycine 0 C--N 1.35 1.352 0 O-C-N 120.396 -1.44 . . . . 0.0 114.79 168.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -79.13 -14.39 13.44 Favored 'Trans proline' 0 N--CA 1.459 -0.511 0 CA-C-N 121.395 2.598 . . . . 0.0 110.442 -166.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.7 tptt -62.57 -40.24 96.23 Favored 'General case' 0 N--CA 1.447 -0.6 0 O-C-N 121.322 -0.861 . . . . 0.0 112.479 174.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -62.54 -40.7 97.64 Favored 'General case' 0 C--N 1.349 0.566 0 C-N-CA 125.476 1.51 . . . . 0.0 111.845 176.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -62.96 -47.12 84.56 Favored 'General case' 0 C--N 1.351 0.671 0 O-C-N 121.017 -1.052 . . . . 0.0 112.06 171.495 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 59.2 p -57.7 -37.22 73.13 Favored 'General case' 0 C--N 1.351 0.653 0 N-CA-C 116.042 1.868 . . . . 0.0 116.042 -170.17 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.8 pp -72.11 -16.28 62.01 Favored 'General case' 0 C--N 1.348 0.537 0 N-CA-C 115.191 1.552 . . . . 0.0 115.191 -167.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.7 t . . . . . 0 C--N 1.351 0.654 0 CA-C-O 122.419 1.104 . . . . 0.0 108.374 166.787 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo . . . . . 0 CA--C 1.517 -0.358 0 N-CA-C 114.837 1.053 . . . . 0.0 114.837 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 8.1 tp -64.74 -45.01 96.44 Favored 'Isoleucine or valine' 0 C--N 1.348 0.52 0 CA-C-N 119.849 1.204 . . . . 0.0 112.793 174.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 84.8 mt -66.95 -41.52 86.78 Favored 'General case' 0 C--N 1.349 0.548 0 O-C-N 120.538 -1.351 . . . . 0.0 111.937 176.288 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.29 -42.44 98.66 Favored 'General case' 0 C--N 1.349 0.546 0 C-N-CA 124.366 1.066 . . . . 0.0 112.953 173.241 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 31.8 t -60.55 -42.32 96.34 Favored 'General case' 0 C--N 1.352 0.681 0 O-C-N 120.849 -1.157 . . . . 0.0 112.714 173.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 77.8 mt -65.35 -48.95 71.21 Favored 'General case' 0 C--N 1.346 0.436 0 O-C-N 120.166 -1.584 . . . . 0.0 113.077 171.369 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.24 -43.0 99.82 Favored 'General case' 0 C--N 1.347 0.485 0 N-CA-C 114.405 1.261 . . . . 0.0 114.405 -177.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.74 -41.41 99.18 Favored 'General case' 0 N--CA 1.448 -0.566 0 C-N-CA 124.323 1.049 . . . . 0.0 113.236 174.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.8 ttmp? -75.6 -22.38 56.96 Favored 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 124.488 1.115 . . . . 0.0 113.749 -175.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -99.41 6.06 46.14 Favored 'General case' 0 C--N 1.348 0.524 0 O-C-N 120.952 -1.092 . . . . 0.0 112.658 179.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 96.35 79.57 1.47 Allowed Glycine 0 C--N 1.35 1.332 0 O-C-N 120.623 -1.298 . . . . 0.0 114.507 169.113 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -80.36 -17.36 10.3 Favored 'Trans proline' 0 CA--C 1.511 -0.674 0 CA-C-N 121.347 2.574 . . . . 0.0 110.468 -164.098 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.6 tptt -65.9 -32.07 73.37 Favored 'General case' 0 C--N 1.349 0.556 0 O-C-N 121.279 -0.888 . . . . 0.0 112.92 176.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 76.5 mt -61.79 -43.37 98.99 Favored 'General case' 0 C--N 1.35 0.6 0 C-N-CA 124.309 1.043 . . . . 0.0 112.432 173.428 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -65.1 -43.19 92.88 Favored 'General case' 0 C--N 1.349 0.581 0 O-C-N 121.152 -0.968 . . . . 0.0 111.949 172.033 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 39.6 t -61.92 -43.78 98.14 Favored 'General case' 0 C--N 1.346 0.45 0 N-CA-C 114.889 1.44 . . . . 0.0 114.889 178.209 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.261 2.3 pp -65.06 -38.13 89.8 Favored 'General case' 0 C--N 1.351 0.655 0 N-CA-C 115.381 1.622 . . . . 0.0 115.381 -174.158 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.9 t . . . . . 0 C--N 1.35 0.616 0 O-C-N 120.721 -1.237 . . . . 0.0 109.674 176.183 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo . . . . . 0 CA--C 1.516 -0.413 0 CA-C-O 118.999 -0.501 . . . . 0.0 113.119 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.1 tt -63.78 -47.24 91.82 Favored 'Isoleucine or valine' 0 C--N 1.347 0.464 0 CA-C-N 119.406 1.003 . . . . 0.0 113.698 175.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.7 pp -71.57 -36.67 71.0 Favored 'General case' 0 C--N 1.353 0.734 0 O-C-N 120.072 -1.642 . . . . 0.0 112.011 176.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.78 -41.85 98.24 Favored 'General case' 0 C--N 1.351 0.66 0 O-C-N 121.018 -1.051 . . . . 0.0 113.015 173.162 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 40.8 t -59.59 -42.78 93.33 Favored 'General case' 0 C--N 1.351 0.65 0 C-N-CA 124.859 1.264 . . . . 0.0 112.656 173.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 87.5 mt -66.74 -49.91 64.45 Favored 'General case' 0 C--N 1.346 0.439 0 O-C-N 120.614 -1.303 . . . . 0.0 113.121 171.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.74 -43.57 98.45 Favored 'General case' 0 C--N 1.347 0.494 0 N-CA-C 114.694 1.368 . . . . 0.0 114.694 -175.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.43 -44.39 91.34 Favored 'General case' 0 C--N 1.349 0.556 0 O-C-N 121.085 -1.009 . . . . 0.0 113.034 175.126 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.9 ttpm? -66.03 -37.36 85.67 Favored 'General case' 0 C--N 1.345 0.394 0 C-N-CA 125.925 1.69 . . . . 0.0 114.533 -179.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -76.66 -12.11 59.95 Favored 'General case' 0 C--N 1.347 0.49 0 O-C-N 120.872 -1.143 . . . . 0.0 113.108 175.417 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 97.97 88.18 1.89 Allowed Glycine 0 C--N 1.35 1.335 0 O-C-N 120.897 -1.127 . . . . 0.0 113.531 168.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -90.04 5.58 4.46 Favored 'Trans proline' 0 C--N 1.328 -0.548 0 CA-C-N 122.874 3.337 . . . . 0.0 110.204 -160.063 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.3 tptp -64.21 -40.55 96.3 Favored 'General case' 0 N--CA 1.449 -0.475 0 O-C-N 120.526 -1.359 . . . . 0.0 114.262 -177.325 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -73.95 -20.24 60.43 Favored 'General case' 0 C--N 1.351 0.645 0 O-C-N 120.729 -1.232 . . . . 0.0 113.358 177.121 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -70.48 -46.87 62.92 Favored 'General case' 0 C--N 1.352 0.694 0 O-C-N 120.874 -1.141 . . . . 0.0 110.895 165.321 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 76.9 p -58.25 -41.58 84.52 Favored 'General case' 0 C--N 1.353 0.747 0 N-CA-C 115.632 1.716 . . . . 0.0 115.632 -172.151 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.6 pp -74.52 -16.38 60.84 Favored 'General case' 0 C--N 1.349 0.582 0 N-CA-C 114.941 1.459 . . . . 0.0 114.941 -170.442 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.5 t . . . . . 0 C--N 1.35 0.623 0 CA-C-O 122.858 1.313 . . . . 0.0 108.38 171.265 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo . . . . . 0 CA--C 1.518 -0.325 0 CA-C-O 118.354 -0.769 . . . . 0.0 113.697 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 19.7 tt -67.43 -43.51 87.53 Favored 'Isoleucine or valine' 0 C--N 1.351 0.638 0 CA-C-N 120.453 1.479 . . . . 0.0 112.182 174.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 96.0 mt -61.87 -43.83 98.05 Favored 'General case' 0 C--N 1.352 0.705 0 O-C-N 120.606 -1.309 . . . . 0.0 112.709 173.2 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.82 -40.93 97.0 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 124.542 1.137 . . . . 0.0 113.271 174.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 36.1 t -59.42 -43.8 92.99 Favored 'General case' 0 C--N 1.351 0.64 0 C-N-CA 124.409 1.084 . . . . 0.0 112.722 175.042 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.0 mp -67.62 -49.74 61.49 Favored 'General case' 0 C--N 1.347 0.474 0 O-C-N 120.613 -1.304 . . . . 0.0 112.408 171.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.26 -43.14 99.5 Favored 'General case' 0 C--N 1.348 0.52 0 N-CA-C 114.754 1.39 . . . . 0.0 114.754 -175.321 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.37 -41.96 98.84 Favored 'General case' 0 N--CA 1.448 -0.554 0 O-C-N 121.025 -1.047 . . . . 0.0 112.987 174.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.2 ttpm? -76.26 -19.94 57.85 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 124.767 1.227 . . . . 0.0 113.599 -175.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -96.18 3.14 53.4 Favored 'General case' 0 C--N 1.347 0.477 0 O-C-N 120.686 -1.259 . . . . 0.0 112.252 176.114 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 93.05 79.68 1.44 Allowed Glycine 0 C--N 1.35 1.32 0 O-C-N 120.604 -1.31 . . . . 0.0 114.661 168.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -79.32 -17.06 11.79 Favored 'Trans proline' 0 CA--C 1.512 -0.581 0 CA-C-N 121.532 2.666 . . . . 0.0 110.183 -164.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.8 tptt -62.83 -38.31 90.27 Favored 'General case' 0 N--CA 1.448 -0.538 0 O-C-N 121.224 -0.922 . . . . 0.0 112.521 174.197 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.3 mp -63.15 -38.47 91.3 Favored 'General case' 0 C--N 1.35 0.587 0 C-N-CA 125.688 1.595 . . . . 0.0 112.224 176.11 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -66.22 -44.69 83.1 Favored 'General case' 0 C--N 1.348 0.527 0 C-N-CA 124.532 1.133 . . . . 0.0 112.45 171.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 82.1 p -56.44 -39.79 73.71 Favored 'General case' 0 C--N 1.351 0.648 0 N-CA-C 118.139 2.644 . . . . 0.0 118.139 -163.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.478 ' H ' HD23 ' A' ' 19' ' ' LEU . 0.5 OUTLIER -61.12 -40.11 92.54 Favored 'General case' 0 C--N 1.351 0.643 0 N-CA-C 115.69 1.737 . . . . 0.0 115.69 -168.449 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.5 t . . . . . 0 C--N 1.348 0.514 0 CA-C-O 123.016 1.389 . . . . 0.0 108.577 174.48 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo . . . . . 0 N--CA 1.461 -0.393 0 CA-C-O 118.59 -0.671 . . . . 0.0 112.871 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 20.0 tt -67.26 -44.45 87.48 Favored 'Isoleucine or valine' 0 C--N 1.35 0.592 0 CA-C-N 120.08 1.309 . . . . 0.0 112.302 175.377 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 88.9 mt -63.09 -42.9 99.7 Favored 'General case' 0 C--N 1.351 0.639 0 O-C-N 120.505 -1.372 . . . . 0.0 112.752 174.215 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.73 -40.93 96.79 Favored 'General case' 0 C--N 1.35 0.603 0 O-C-N 120.984 -1.073 . . . . 0.0 113.237 173.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 33.0 t -59.93 -43.08 95.14 Favored 'General case' 0 C--N 1.35 0.628 0 O-C-N 120.916 -1.115 . . . . 0.0 112.687 174.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.6 mp -66.74 -48.61 68.62 Favored 'General case' 0 C--N 1.346 0.424 0 O-C-N 120.034 -1.667 . . . . 0.0 112.71 171.457 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.9 -43.92 97.48 Favored 'General case' 0 C--N 1.347 0.484 0 N-CA-C 114.947 1.462 . . . . 0.0 114.947 -176.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.83 -42.57 94.85 Favored 'General case' 0 N--CA 1.449 -0.522 0 O-C-N 120.962 -1.086 . . . . 0.0 113.244 175.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.7 ttmp? -65.1 -37.39 87.34 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 125.378 1.471 . . . . 0.0 114.188 -179.158 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -94.59 9.21 39.55 Favored 'General case' 0 C--N 1.347 0.498 0 O-C-N 120.952 -1.092 . . . . 0.0 113.347 -175.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 98.99 80.07 1.5 Allowed Glycine 0 C--N 1.351 1.361 0 O-C-N 120.721 -1.237 . . . . 0.0 115.051 166.362 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -80.08 -18.76 9.86 Favored 'Trans proline' 0 CA--C 1.512 -0.623 0 CA-C-N 121.305 2.552 . . . . 0.0 110.874 -164.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 26.5 mmtp -62.19 -37.79 86.65 Favored 'General case' 0 C--N 1.35 0.622 0 N-CA-C 113.264 0.838 . . . . 0.0 113.264 175.095 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 77.6 mt -62.24 -41.1 98.11 Favored 'General case' 0 C--N 1.348 0.533 0 C-N-CA 123.917 0.887 . . . . 0.0 111.604 175.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -66.67 -46.27 76.19 Favored 'General case' 0 C--N 1.35 0.605 0 O-C-N 121.33 -0.856 . . . . 0.0 112.85 171.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 59.6 p -65.34 -42.99 92.31 Favored 'General case' 0 C--N 1.35 0.623 0 N-CA-C 115.37 1.618 . . . . 0.0 115.37 -176.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.5 pp -64.91 -38.94 92.63 Favored 'General case' 0 C--N 1.353 0.756 0 N-CA-C 114.575 1.324 . . . . 0.0 114.575 -174.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.0 t . . . . . 0 C--N 1.35 0.624 0 CA-C-O 122.987 1.375 . . . . 0.0 109.968 174.835 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo . . . . . 0 CA--C 1.517 -0.372 0 CA-C-O 119.103 -0.457 . . . . 0.0 113.274 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.1 tt -63.72 -46.55 94.3 Favored 'Isoleucine or valine' 0 C--N 1.346 0.451 0 N-CA-C 113.684 0.994 . . . . 0.0 113.684 174.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.5 pp -72.18 -35.93 69.11 Favored 'General case' 0 C--N 1.354 0.795 0 O-C-N 120.315 -1.491 . . . . 0.0 111.906 176.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.71 -42.89 99.55 Favored 'General case' 0 C--N 1.35 0.61 0 O-C-N 120.588 -1.32 . . . . 0.0 112.853 172.048 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 33.0 t -60.92 -44.22 97.5 Favored 'General case' 0 C--N 1.351 0.66 0 O-C-N 120.82 -1.175 . . . . 0.0 113.286 175.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . 0.251 3.1 pp -69.76 -42.87 73.29 Favored 'General case' 0 C--N 1.35 0.601 0 O-C-N 119.817 -1.802 . . . . 0.0 113.394 172.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.71 -43.42 98.84 Favored 'General case' 0 C--N 1.35 0.605 0 O-C-N 120.212 -1.555 . . . . 0.0 114.56 179.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.95 -43.54 98.52 Favored 'General case' 0 C--N 1.35 0.606 0 CA-C-O 122.213 1.006 . . . . 0.0 112.892 174.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.8 ttmp? -65.06 -36.21 83.61 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 125.646 1.578 . . . . 0.0 113.677 178.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -94.0 12.96 24.4 Favored 'General case' 0 C--N 1.348 0.52 0 O-C-N 120.543 -1.348 . . . . 0.0 113.377 -177.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 95.96 83.29 1.65 Allowed Glycine 0 C--N 1.351 1.408 0 N-CA-C 115.955 1.142 . . . . 0.0 115.955 162.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -86.58 -26.47 0.99 Allowed 'Trans proline' 0 CA--C 1.512 -0.623 0 CA-C-N 121.668 2.734 . . . . 0.0 110.517 -165.023 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.3 tptt -63.35 -40.76 98.17 Favored 'General case' 0 C--N 1.351 0.648 0 CA-C-N 119.685 1.13 . . . . 0.0 112.205 176.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 83.5 mt -61.7 -40.09 93.78 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 125.132 1.373 . . . . 0.0 112.774 172.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -62.52 -44.8 95.48 Favored 'General case' 0 C--N 1.354 0.801 0 O-C-N 120.898 -1.126 . . . . 0.0 111.783 171.473 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 56.2 p -60.25 -40.31 89.83 Favored 'General case' 0 C--N 1.35 0.618 0 N-CA-C 115.902 1.815 . . . . 0.0 115.902 -174.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.3 pp -65.92 -36.94 84.76 Favored 'General case' 0 C--N 1.351 0.651 0 N-CA-C 115.337 1.606 . . . . 0.0 115.337 -172.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.8 t . . . . . 0 C--N 1.351 0.647 0 CA-C-O 122.79 1.281 . . . . 0.0 109.294 173.351 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo . . . . . 0 CA--C 1.516 -0.39 0 CA-C-O 119.077 -0.468 . . . . 0.0 113.023 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.0 tt -62.6 -44.3 99.26 Favored 'Isoleucine or valine' 0 C--N 1.347 0.497 0 CA-C-N 119.371 0.987 . . . . 0.0 112.802 174.132 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 85.8 mt -65.11 -43.18 92.85 Favored 'General case' 0 C--N 1.35 0.592 0 O-C-N 120.576 -1.328 . . . . 0.0 111.838 175.345 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.32 -40.34 93.84 Favored 'General case' 0 C--N 1.35 0.597 0 C-N-CA 124.37 1.068 . . . . 0.0 113.219 174.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 32.2 t -58.83 -43.52 90.71 Favored 'General case' 0 C--N 1.35 0.592 0 C-N-CA 124.455 1.102 . . . . 0.0 113.022 176.106 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.9 mp -69.99 -49.43 51.61 Favored 'General case' 0 C--N 1.347 0.492 0 O-C-N 120.467 -1.396 . . . . 0.0 112.288 171.18 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.84 -43.51 98.61 Favored 'General case' 0 C--N 1.349 0.576 0 N-CA-C 114.927 1.454 . . . . 0.0 114.927 -173.441 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.47 -42.37 78.81 Favored 'General case' 0 N--CA 1.448 -0.546 0 O-C-N 120.738 -1.226 . . . . 0.0 113.652 174.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.9 ttpm? -68.38 -44.33 75.38 Favored 'General case' 0 C--N 1.349 0.547 0 N-CA-C 114.684 1.364 . . . . 0.0 114.684 -176.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -68.37 -38.77 81.72 Favored 'General case' 0 C--N 1.351 0.637 0 CA-C-O 123.555 1.645 . . . . 0.0 110.483 165.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 90.57 139.9 8.23 Favored Glycine 0 C--N 1.341 0.857 0 C-N-CA 126.646 2.07 . . . . 0.0 111.317 174.235 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -89.91 11.01 2.92 Favored 'Trans proline' 0 C--N 1.327 -0.586 0 CA-C-N 121.648 2.724 . . . . 0.0 110.496 -162.287 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.442 ' H ' ' HD3' ' A' ' 15' ' ' LYS . 1.1 mppt? -53.98 -44.07 70.48 Favored 'General case' 0 C--N 1.351 0.631 0 C-N-CA 126.465 1.906 . . . . 0.0 113.706 -173.781 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.474 HD22 ' H ' ' A' ' 16' ' ' LEU . 2.2 mm? -65.31 -39.09 92.04 Favored 'General case' 0 N--CA 1.446 -0.627 0 C-N-CA 124.775 1.23 . . . . 0.0 112.536 179.002 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -74.38 -47.28 35.06 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 126.548 1.939 . . . . 0.0 112.126 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 71.0 p -62.16 -44.76 95.9 Favored 'General case' 0 C--N 1.348 0.537 0 N-CA-C 115.156 1.539 . . . . 0.0 115.156 -167.134 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.8 pp -76.36 -15.09 60.04 Favored 'General case' 0 C--N 1.347 0.46 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 -175.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 25.0 t . . . . . 0 C--N 1.352 0.675 0 CA-C-O 122.89 1.328 . . . . 0.0 108.672 174.109 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo . . . . . 0 CA--C 1.517 -0.345 0 N-CA-C 113.655 0.598 . . . . 0.0 113.655 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 7.8 tp -63.76 -45.73 96.44 Favored 'Isoleucine or valine' 0 C--N 1.348 0.529 0 CA-C-N 119.546 1.067 . . . . 0.0 113.002 173.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 83.1 mt -67.36 -41.91 84.31 Favored 'General case' 0 C--N 1.349 0.565 0 O-C-N 120.352 -1.467 . . . . 0.0 111.962 176.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.87 -41.8 96.67 Favored 'General case' 0 C--N 1.349 0.553 0 C-N-CA 124.13 0.972 . . . . 0.0 113.114 173.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 39.8 t -59.98 -43.21 95.27 Favored 'General case' 0 C--N 1.352 0.689 0 C-N-CA 124.625 1.17 . . . . 0.0 112.778 173.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 77.6 mt -67.18 -48.69 67.2 Favored 'General case' 0 C--N 1.345 0.409 0 O-C-N 120.395 -1.44 . . . . 0.0 113.02 172.458 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.03 -43.8 97.68 Favored 'General case' 0 C--N 1.348 0.515 0 N-CA-C 114.741 1.385 . . . . 0.0 114.741 -176.565 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.91 -44.15 90.52 Favored 'General case' 0 C--N 1.349 0.572 0 O-C-N 120.966 -1.084 . . . . 0.0 113.069 175.157 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.1 ttpm? -65.6 -36.61 84.25 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 125.648 1.579 . . . . 0.0 114.606 -179.221 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -92.07 6.0 48.13 Favored 'General case' 0 C--N 1.346 0.452 0 O-C-N 120.773 -1.204 . . . . 0.0 112.48 -177.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 95.84 83.32 1.65 Allowed Glycine 0 C--N 1.351 1.366 0 O-C-N 120.795 -1.19 . . . . 0.0 114.198 166.462 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -74.69 -7.24 19.2 Favored 'Trans proline' 0 C--N 1.331 -0.345 0 CA-C-N 122.037 2.918 . . . . 0.0 111.941 -166.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.2 tptt -62.49 -42.11 99.26 Favored 'General case' 0 N--CA 1.445 -0.69 0 O-C-N 120.964 -1.085 . . . . 0.0 113.611 176.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.3 pp -63.55 -38.47 91.25 Favored 'General case' 0 C--N 1.353 0.738 0 C-N-CA 123.758 0.823 . . . . 0.0 113.033 176.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -62.59 -45.33 93.4 Favored 'General case' 0 C--N 1.35 0.605 0 C-N-CA 125.286 1.434 . . . . 0.0 111.548 171.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 53.5 p -60.45 -41.58 94.36 Favored 'General case' 0 C--N 1.351 0.664 0 N-CA-C 115.666 1.728 . . . . 0.0 115.666 -177.465 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.4 pp -77.31 -16.27 59.03 Favored 'General case' 0 C--N 1.351 0.653 0 N-CA-C 114.807 1.41 . . . . 0.0 114.807 -166.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.8 t . . . . . 0 C--N 1.35 0.604 0 CA-C-O 122.37 1.081 . . . . 0.0 108.099 169.391 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_endo . . . . . 0 CA--C 1.516 -0.39 0 N-CA-C 113.757 0.637 . . . . 0.0 113.757 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.1 tt -62.8 -43.54 98.86 Favored 'Isoleucine or valine' 0 C--N 1.347 0.487 0 CA-C-N 119.376 0.989 . . . . 0.0 113.02 172.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 79.4 mt -66.48 -43.0 86.63 Favored 'General case' 0 C--N 1.351 0.645 0 C-N-CA 125.162 1.385 . . . . 0.0 111.902 176.153 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.31 -44.05 97.41 Favored 'General case' 0 N--CA 1.446 -0.63 0 O-C-N 121.239 -0.913 . . . . 0.0 113.125 174.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.8 t -62.17 -47.83 82.76 Favored 'General case' 0 C--N 1.35 0.609 0 C-N-CA 124.19 0.996 . . . . 0.0 113.064 176.351 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.5 pp -65.71 -38.44 89.2 Favored 'General case' 0 C--N 1.353 0.758 0 O-C-N 119.997 -1.69 . . . . 0.0 113.224 175.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.31 -42.61 99.51 Favored 'General case' 0 C--N 1.35 0.625 0 O-C-N 120.496 -1.377 . . . . 0.0 113.774 173.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.24 -47.31 80.14 Favored 'General case' 0 C--N 1.35 0.607 0 C-N-CA 124.293 1.037 . . . . 0.0 113.331 172.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.0 tmtt? -63.89 -35.9 82.18 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 125.438 1.495 . . . . 0.0 113.805 178.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 -96.75 20.65 10.6 Favored 'General case' 0 C--N 1.346 0.443 0 O-C-N 120.344 -1.473 . . . . 0.0 112.709 176.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 92.28 95.61 1.38 Allowed Glycine 0 C--N 1.352 1.418 0 O-C-N 120.041 -1.662 . . . . 0.0 116.207 162.047 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_endo -96.84 -29.06 0.06 OUTLIER 'Trans proline' 0 CA--C 1.514 -0.513 0 CA-C-N 121.125 2.462 . . . . 0.0 110.652 -167.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.1 tptt -65.5 -34.12 77.53 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-N 120.48 1.491 . . . . 0.0 112.713 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.7 mp -59.87 -40.66 89.39 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 125.4 1.48 . . . . 0.0 112.095 172.01 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 38.0 t80 -65.86 -45.16 83.16 Favored 'General case' 0 C--N 1.356 0.868 0 O-C-N 120.858 -1.151 . . . . 0.0 111.299 169.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 27.0 t -58.25 -41.49 84.31 Favored 'General case' 0 C--N 1.346 0.454 0 N-CA-C 114.895 1.443 . . . . 0.0 114.895 -175.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.252 1.9 pp -63.91 -38.07 89.74 Favored 'General case' 0 C--N 1.35 0.598 0 N-CA-C 115.979 1.844 . . . . 0.0 115.979 -176.36 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.7 t . . . . . 0 C--N 1.352 0.689 0 O-C-N 120.479 -1.388 . . . . 0.0 109.996 176.227 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo . . . . . 0 N--CA 1.462 -0.335 0 CA-C-O 118.323 -0.782 . . . . 0.0 113.916 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 8.9 tp -67.74 -43.12 86.69 Favored 'Isoleucine or valine' 0 C--N 1.352 0.686 0 CA-C-N 120.551 1.523 . . . . 0.0 111.899 174.526 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 95.7 mt -61.42 -43.74 98.35 Favored 'General case' 0 C--N 1.352 0.7 0 O-C-N 120.384 -1.447 . . . . 0.0 112.88 172.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.73 -41.19 97.31 Favored 'General case' 0 C--N 1.349 0.564 0 C-N-CA 124.514 1.126 . . . . 0.0 113.329 174.481 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 44.1 t -59.3 -43.93 92.57 Favored 'General case' 0 C--N 1.351 0.668 0 C-N-CA 124.515 1.126 . . . . 0.0 112.617 174.565 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.9 mp -67.56 -47.72 69.01 Favored 'General case' 0 C--N 1.346 0.428 0 O-C-N 120.411 -1.43 . . . . 0.0 112.649 171.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.83 -43.99 97.33 Favored 'General case' 0 C--N 1.346 0.415 0 N-CA-C 115.015 1.487 . . . . 0.0 115.015 -176.455 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.7 -43.91 91.98 Favored 'General case' 0 C--N 1.35 0.603 0 O-C-N 121.159 -0.963 . . . . 0.0 112.982 175.379 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -64.92 -37.53 87.95 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 125.394 1.477 . . . . 0.0 113.81 178.13 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -94.44 16.59 14.85 Favored 'General case' 0 C--N 1.347 0.486 0 O-C-N 120.411 -1.431 . . . . 0.0 113.491 -177.337 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 95.12 83.58 1.63 Allowed Glycine 0 C--N 1.349 1.258 0 O-C-N 120.603 -1.31 . . . . 0.0 115.787 162.511 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -89.86 -20.39 1.18 Allowed 'Trans proline' 0 CA--C 1.511 -0.626 0 CA-C-N 120.796 2.298 . . . . 0.0 110.361 -166.523 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.2 tptp -66.74 -41.12 88.35 Favored 'General case' 0 C--N 1.35 0.591 0 O-C-N 120.625 -1.297 . . . . 0.0 113.226 178.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.4 mp -63.54 -44.52 93.93 Favored 'General case' 0 C--N 1.348 0.519 0 C-N-CA 124.883 1.273 . . . . 0.0 111.19 172.624 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.15 -46.26 91.29 Favored 'General case' 0 C--N 1.35 0.63 0 C-N-CA 124.417 1.087 . . . . 0.0 112.141 178.577 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.2 p -66.91 -41.5 87.02 Favored 'General case' 0 C--N 1.345 0.395 0 N-CA-C 115.444 1.646 . . . . 0.0 115.444 174.404 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.253 2.2 pp -69.48 -35.56 75.7 Favored 'General case' 0 C--N 1.357 0.892 0 O-C-N 119.893 -1.754 . . . . 0.0 114.418 -179.737 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 47.4 t . . . . . 0 C--N 1.35 0.596 0 O-C-N 120.462 -1.399 . . . . 0.0 110.331 179.464 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo . . . . . 0 CA--C 1.513 -0.547 0 N-CA-C 115.161 1.177 . . . . 0.0 115.161 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.5 tt -64.14 -44.32 97.57 Favored 'Isoleucine or valine' 0 C--N 1.347 0.464 0 CA-C-N 119.814 1.188 . . . . 0.0 113.207 176.47 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 85.9 mt -68.11 -42.46 80.22 Favored 'General case' 0 C--N 1.349 0.575 0 O-C-N 120.686 -1.259 . . . . 0.0 111.895 176.221 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.13 -44.08 97.43 Favored 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 124.267 1.027 . . . . 0.0 113.22 175.41 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 21.8 t -62.62 -45.31 93.44 Favored 'General case' 0 C--N 1.35 0.619 0 C-N-CA 124.306 1.043 . . . . 0.0 112.446 173.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.0 tt -60.87 -45.34 94.94 Favored 'General case' 0 C--N 1.351 0.65 0 O-C-N 120.581 -1.324 . . . . 0.0 112.737 176.282 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.62 -44.0 97.39 Favored 'General case' 0 C--N 1.35 0.595 0 C-N-CA 124.339 1.055 . . . . 0.0 113.438 174.145 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.03 -43.46 95.3 Favored 'General case' 0 C--N 1.351 0.661 0 C-N-CA 124.787 1.235 . . . . 0.0 112.635 175.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -72.75 -11.7 60.72 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 126.654 1.982 . . . . 0.0 113.38 179.664 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -104.15 0.04 29.12 Favored 'General case' 0 C--N 1.346 0.455 0 O-C-N 119.273 -2.142 . . . . 0.0 112.54 170.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 89.06 80.02 1.31 Allowed Glycine 0 C--N 1.349 1.255 0 O-C-N 120.688 -1.257 . . . . 0.0 114.463 170.177 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -92.04 8.4 2.97 Favored 'Trans proline' 0 CA--C 1.512 -0.591 0 CA-C-N 121.935 2.867 . . . . 0.0 110.062 -158.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -62.27 -38.9 91.11 Favored 'General case' 0 C--N 1.348 0.501 0 C-N-CA 125.12 1.368 . . . . 0.0 112.629 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.6 mp -62.26 -43.85 97.89 Favored 'General case' 0 C--N 1.348 0.542 0 C-N-CA 123.856 0.863 . . . . 0.0 111.542 175.127 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -65.61 -41.42 92.75 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 124.592 1.157 . . . . 0.0 112.987 176.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 86.4 p -66.28 -43.27 86.87 Favored 'General case' 0 C--N 1.351 0.658 0 N-CA-C 114.716 1.376 . . . . 0.0 114.716 173.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.8 pp -66.5 -32.56 73.99 Favored 'General case' 0 C--N 1.355 0.847 0 CA-C-N 119.836 1.198 . . . . 0.0 113.928 -178.646 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 22.8 m . . . . . 0 C--N 1.351 0.668 0 O-C-N 120.325 -1.484 . . . . 0.0 111.068 174.44 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo . . . . . 0 CA--C 1.51 -0.7 0 CA-C-O 118.905 -0.54 . . . . 0.0 111.846 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 20.7 tt -62.64 -45.01 99.86 Favored 'Isoleucine or valine' 0 C--N 1.347 0.491 0 CA-C-N 119.204 0.911 . . . . 0.0 112.702 174.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 78.3 mt -66.47 -41.38 89.08 Favored 'General case' 0 C--N 1.35 0.596 0 O-C-N 120.626 -1.296 . . . . 0.0 112.291 175.459 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.81 -42.37 98.93 Favored 'General case' 0 C--N 1.349 0.555 0 N-CA-C 113.454 0.909 . . . . 0.0 113.454 174.594 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.9 t -61.18 -45.83 93.01 Favored 'General case' 0 C--N 1.35 0.6 0 C-N-CA 124.464 1.106 . . . . 0.0 112.735 174.274 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 85.2 mt -63.32 -43.89 96.5 Favored 'General case' 0 C--N 1.349 0.583 0 O-C-N 120.523 -1.361 . . . . 0.0 113.255 173.507 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.66 -41.74 97.96 Favored 'General case' 0 C--N 1.346 0.454 0 O-C-N 120.529 -1.357 . . . . 0.0 113.642 175.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.57 -45.71 91.7 Favored 'General case' 0 C--N 1.349 0.587 0 C-N-CA 124.451 1.1 . . . . 0.0 113.185 172.318 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -62.96 -38.45 91.12 Favored 'General case' 0 N--CA 1.45 -0.425 0 C-N-CA 125.761 1.624 . . . . 0.0 114.21 178.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -94.29 11.6 29.79 Favored 'General case' 0 C--N 1.348 0.503 0 O-C-N 120.808 -1.183 . . . . 0.0 113.158 -178.061 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 95.31 84.92 1.68 Allowed Glycine 0 C--N 1.35 1.309 0 O-C-N 120.493 -1.379 . . . . 0.0 115.206 164.498 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -82.32 -27.46 2.29 Favored 'Trans proline' 0 CA--C 1.511 -0.652 0 CA-C-N 121.23 2.515 . . . . 0.0 109.166 -168.405 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.5 tptt -64.45 -39.75 94.42 Favored 'General case' 0 C--N 1.35 0.595 0 O-C-N 121.325 -0.859 . . . . 0.0 112.221 173.161 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 57.7 tp -61.75 -42.01 98.42 Favored 'General case' 0 C--N 1.35 0.626 0 C-N-CA 124.771 1.229 . . . . 0.0 112.338 173.028 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -61.68 -44.65 96.55 Favored 'General case' 0 C--N 1.349 0.552 0 O-C-N 120.615 -1.303 . . . . 0.0 112.963 171.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 69.1 p -57.91 -38.34 75.68 Favored 'General case' 0 C--N 1.35 0.612 0 N-CA-C 117.666 2.469 . . . . 0.0 117.666 -168.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.14 -37.08 81.56 Favored 'General case' 0 C--N 1.352 0.7 0 N-CA-C 115.592 1.701 . . . . 0.0 115.592 -170.227 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.9 t . . . . . 0 C--N 1.348 0.521 0 CA-C-O 122.32 1.057 . . . . 0.0 109.168 174.099 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo . . . . . 0 CA--C 1.516 -0.424 0 CA-C-O 118.854 -0.561 . . . . 0.0 113.422 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 20.6 tt -63.64 -45.06 98.52 Favored 'Isoleucine or valine' 0 C--N 1.348 0.513 0 CA-C-N 119.622 1.101 . . . . 0.0 112.611 174.156 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 74.9 mt -65.15 -43.71 90.93 Favored 'General case' 0 C--N 1.35 0.589 0 C-N-CA 124.862 1.265 . . . . 0.0 112.041 176.513 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.83 -42.01 98.5 Favored 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 124.54 1.136 . . . . 0.0 113.071 174.281 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 30.7 t -60.3 -42.57 95.81 Favored 'General case' 0 C--N 1.351 0.657 0 O-C-N 121.002 -1.061 . . . . 0.0 112.683 174.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 72.3 mt -66.68 -48.82 68.12 Favored 'General case' 0 C--N 1.346 0.421 0 O-C-N 120.116 -1.615 . . . . 0.0 112.988 171.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.32 -44.08 95.98 Favored 'General case' 0 C--N 1.348 0.503 0 N-CA-C 114.926 1.454 . . . . 0.0 114.926 -176.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.28 -44.15 88.94 Favored 'General case' 0 N--CA 1.448 -0.556 0 O-C-N 120.989 -1.07 . . . . 0.0 113.163 175.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.7 ttmp? -64.81 -37.58 88.1 Favored 'General case' 0 C--N 1.347 0.464 0 C-N-CA 125.477 1.511 . . . . 0.0 114.084 -178.257 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -93.26 8.55 39.82 Favored 'General case' 0 C--N 1.346 0.449 0 O-C-N 121.066 -1.021 . . . . 0.0 112.632 -177.032 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 95.55 85.38 1.7 Allowed Glycine 0 C--N 1.35 1.357 0 O-C-N 120.693 -1.255 . . . . 0.0 114.501 166.655 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -75.31 -21.59 15.14 Favored 'Trans proline' 0 CA--C 1.514 -0.493 0 CA-C-N 121.762 2.781 . . . . 0.0 111.061 -164.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -62.04 -38.16 87.68 Favored 'General case' 0 C--N 1.349 0.546 0 C-N-CA 123.684 0.794 . . . . 0.0 112.569 172.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.6 mp -63.91 -39.86 95.16 Favored 'General case' 0 C--N 1.35 0.617 0 C-N-CA 125.409 1.484 . . . . 0.0 111.531 177.117 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -64.29 -50.57 67.36 Favored 'General case' 0 C--N 1.351 0.647 0 O-C-N 120.842 -1.161 . . . . 0.0 111.63 167.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.5 t -60.46 -39.18 86.67 Favored 'General case' 0 C--N 1.348 0.528 0 C-N-CA 125.899 1.68 . . . . 0.0 115.233 -172.32 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.1 pp -70.85 -16.09 62.68 Favored 'General case' 0 C--N 1.347 0.495 0 N-CA-C 114.97 1.47 . . . . 0.0 114.97 -171.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.4 t . . . . . 0 C--N 1.352 0.704 0 CA-C-O 122.763 1.268 . . . . 0.0 108.504 169.185 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo . . . . . 0 N--CA 1.461 -0.418 0 CA-C-O 119.033 -0.486 . . . . 0.0 113.037 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 7.9 tp -63.56 -47.67 90.41 Favored 'Isoleucine or valine' 0 C--N 1.347 0.48 0 CA-C-N 119.319 0.963 . . . . 0.0 113.497 175.417 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.7 pp -71.01 -36.97 72.62 Favored 'General case' 0 C--N 1.353 0.719 0 O-C-N 120.002 -1.687 . . . . 0.0 112.013 177.222 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.5 -41.81 97.84 Favored 'General case' 0 C--N 1.351 0.672 0 O-C-N 121.104 -0.997 . . . . 0.0 113.018 173.204 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 42.0 t -59.54 -43.08 93.6 Favored 'General case' 0 C--N 1.351 0.668 0 C-N-CA 124.795 1.238 . . . . 0.0 112.728 174.022 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 83.5 mt -67.55 -48.09 67.97 Favored 'General case' 0 C--N 1.346 0.435 0 O-C-N 120.576 -1.328 . . . . 0.0 113.146 172.33 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.05 -43.64 98.05 Favored 'General case' 0 C--N 1.348 0.528 0 N-CA-C 114.756 1.391 . . . . 0.0 114.756 -176.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.93 -44.18 90.34 Favored 'General case' 0 C--N 1.349 0.553 0 O-C-N 120.986 -1.071 . . . . 0.0 113.045 175.041 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.7 ttpm? -65.98 -37.12 85.16 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 125.579 1.551 . . . . 0.0 114.562 -179.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -93.04 8.38 40.24 Favored 'General case' 0 C--N 1.347 0.477 0 O-C-N 120.77 -1.206 . . . . 0.0 112.727 -177.502 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 97.03 84.54 1.74 Allowed Glycine 0 C--N 1.35 1.315 0 O-C-N 120.698 -1.251 . . . . 0.0 114.297 167.243 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -76.67 -16.43 16.64 Favored 'Trans proline' 0 CA--C 1.514 -0.525 0 CA-C-N 121.827 2.813 . . . . 0.0 110.803 -165.343 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.9 mmtt -65.21 -32.28 73.88 Favored 'General case' 0 C--N 1.35 0.612 0 O-C-N 121.208 -0.932 . . . . 0.0 113.206 172.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 76.1 mt -62.25 -43.01 99.79 Favored 'General case' 0 C--N 1.352 0.694 0 C-N-CA 124.365 1.066 . . . . 0.0 112.276 174.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 38.0 t80 -63.71 -47.7 80.07 Favored 'General case' 0 C--N 1.353 0.729 0 O-C-N 121.224 -0.922 . . . . 0.0 111.537 169.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 31.2 t -58.93 -39.68 82.32 Favored 'General case' 0 C--N 1.35 0.599 0 C-N-CA 126.028 1.731 . . . . 0.0 114.825 -174.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.4 pp -61.83 -33.52 74.3 Favored 'General case' 0 C--N 1.348 0.529 0 N-CA-C 115.936 1.828 . . . . 0.0 115.936 -175.132 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.8 t . . . . . 0 C--N 1.354 0.778 0 CA-C-O 123.149 1.452 . . . . 0.0 109.43 171.365 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo . . . . . 0 CA--C 1.514 -0.511 0 N-CA-C 114.001 0.731 . . . . 0.0 114.001 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.1 tt -64.86 -48.43 84.35 Favored 'Isoleucine or valine' 0 C--N 1.347 0.48 0 CA-C-N 119.815 1.189 . . . . 0.0 113.599 -178.25 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.1 pp -71.07 -34.63 71.37 Favored 'General case' 0 C--N 1.35 0.596 0 O-C-N 120.151 -1.593 . . . . 0.0 112.481 176.157 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.42 -41.2 96.79 Favored 'General case' 0 C--N 1.353 0.732 0 O-C-N 120.946 -1.096 . . . . 0.0 112.928 171.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 33.2 t -60.09 -42.82 95.45 Favored 'General case' 0 C--N 1.35 0.63 0 C-N-CA 124.436 1.095 . . . . 0.0 112.757 173.465 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.8 mp -66.33 -48.38 70.45 Favored 'General case' 0 C--N 1.347 0.495 0 O-C-N 119.986 -1.696 . . . . 0.0 112.74 171.687 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.68 -43.35 99.02 Favored 'General case' 0 C--N 1.346 0.426 0 N-CA-C 114.624 1.342 . . . . 0.0 114.624 -176.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.3 -43.31 95.14 Favored 'General case' 0 C--N 1.348 0.523 0 O-C-N 120.976 -1.077 . . . . 0.0 113.218 174.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.8 ttmp? -65.52 -37.49 86.9 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 125.615 1.566 . . . . 0.0 114.216 -179.1 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -93.99 8.56 40.96 Favored 'General case' 0 C--N 1.348 0.502 0 O-C-N 120.973 -1.08 . . . . 0.0 112.936 -176.184 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 98.72 81.62 1.61 Allowed Glycine 0 C--N 1.351 1.378 0 O-C-N 120.591 -1.318 . . . . 0.0 115.031 165.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -79.88 -22.18 7.72 Favored 'Trans proline' 0 CA--C 1.513 -0.572 0 CA-C-N 121.574 2.687 . . . . 0.0 110.284 -165.424 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -65.29 -37.03 85.9 Favored 'General case' 0 C--N 1.347 0.47 0 C-N-CA 124.096 0.959 . . . . 0.0 113.119 173.35 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.5 mp -62.89 -35.69 80.88 Favored 'General case' 0 C--N 1.349 0.587 0 C-N-CA 125.055 1.342 . . . . 0.0 111.109 175.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -69.3 -53.0 21.92 Favored 'General case' 0 C--N 1.35 0.612 0 O-C-N 120.941 -1.099 . . . . 0.0 112.773 166.22 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 53.3 p -61.24 -36.35 79.72 Favored 'General case' 0 C--N 1.353 0.738 0 N-CA-C 115.808 1.781 . . . . 0.0 115.808 -166.483 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.8 pp -57.3 -37.42 72.42 Favored 'General case' 0 C--N 1.35 0.608 0 N-CA-C 115.475 1.657 . . . . 0.0 115.475 -173.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.1 p . . . . . 0 C--N 1.349 0.584 0 O-C-N 120.741 -1.225 . . . . 0.0 110.544 173.554 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo . . . . . 0 CA--C 1.513 -0.564 0 N-CA-C 114.561 0.947 . . . . 0.0 114.561 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.3 tt -64.71 -48.22 85.5 Favored 'Isoleucine or valine' 0 C--N 1.348 0.503 0 CA-C-N 119.972 1.26 . . . . 0.0 113.861 -179.555 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.0 pp -71.95 -37.44 69.97 Favored 'General case' 0 C--N 1.351 0.653 0 O-C-N 120.217 -1.552 . . . . 0.0 112.049 176.054 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.3 -45.5 92.99 Favored 'General case' 0 C--N 1.351 0.66 0 O-C-N 121.154 -0.966 . . . . 0.0 113.256 175.598 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 23.2 t -63.82 -44.74 92.33 Favored 'General case' 0 C--N 1.35 0.589 0 O-C-N 120.954 -1.091 . . . . 0.0 112.41 174.135 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 35.9 tp -60.07 -45.23 93.59 Favored 'General case' 0 C--N 1.351 0.657 0 O-C-N 120.667 -1.27 . . . . 0.0 112.532 178.066 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.63 -46.87 80.7 Favored 'General case' 0 N--CA 1.445 -0.707 0 C-N-CA 125.179 1.392 . . . . 0.0 113.667 172.556 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.84 -42.23 88.82 Favored 'General case' 0 C--N 1.353 0.735 0 C-N-CA 125.649 1.58 . . . . 0.0 113.12 -178.176 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.53 -45.75 90.86 Favored 'General case' 0 N--CA 1.445 -0.678 0 C-N-CA 127.123 2.169 . . . . 0.0 113.465 171.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -67.58 -45.17 76.31 Favored 'General case' 0 C--N 1.357 0.902 0 O-C-N 120.439 -1.413 . . . . 0.0 112.316 173.174 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 121.53 97.92 1.52 Allowed Glycine 0 C--N 1.344 0.989 0 N-CA-C 115.886 1.114 . . . . 0.0 115.886 172.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_endo -92.43 13.98 1.78 Allowed 'Trans proline' 0 N--CA 1.454 -0.85 0 C-N-CA 122.14 1.893 . . . . 0.0 108.22 173.43 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.5 mptt -58.89 -42.44 89.51 Favored 'General case' 0 C--N 1.35 0.588 0 C-N-CA 125.563 1.545 . . . . 0.0 112.144 -176.015 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.9 mp -64.42 -42.8 95.83 Favored 'General case' 0 C--N 1.351 0.632 0 C-N-CA 124.544 1.137 . . . . 0.0 112.219 171.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -63.69 -40.62 97.26 Favored 'General case' 0 C--N 1.348 0.533 0 C-N-CA 125.249 1.419 . . . . 0.0 112.872 179.732 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.5 p -64.87 -43.61 92.4 Favored 'General case' 0 C--N 1.349 0.562 0 N-CA-C 114.542 1.312 . . . . 0.0 114.542 172.015 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.5 pp -74.02 -22.86 59.42 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 120.258 1.39 . . . . 0.0 113.893 -178.293 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.7 p . . . . . 0 C--N 1.351 0.654 0 O-C-N 120.461 -1.399 . . . . 0.0 110.003 171.839 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo . . . . . 0 N--CA 1.459 -0.514 0 CA-C-O 118.319 -0.784 . . . . 0.0 112.71 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 7.9 tp -67.59 -45.57 84.78 Favored 'Isoleucine or valine' 0 C--N 1.351 0.634 0 CA-C-N 120.304 1.411 . . . . 0.0 112.683 177.514 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.9 pp -65.32 -39.16 92.11 Favored 'General case' 0 C--N 1.354 0.786 0 O-C-N 120.022 -1.674 . . . . 0.0 112.952 174.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.51 -41.55 98.91 Favored 'General case' 0 C--N 1.353 0.722 0 O-C-N 120.695 -1.253 . . . . 0.0 113.397 173.271 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 34.3 t -59.62 -44.77 93.32 Favored 'General case' 0 C--N 1.349 0.578 0 C-N-CA 124.949 1.299 . . . . 0.0 112.471 175.453 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 85.4 mt -65.94 -47.19 75.47 Favored 'General case' 0 C--N 1.347 0.46 0 O-C-N 121.258 -0.901 . . . . 0.0 113.089 172.335 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.18 -40.74 95.06 Favored 'General case' 0 C--N 1.349 0.57 0 O-C-N 120.607 -1.308 . . . . 0.0 114.098 -179.262 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.2 -44.37 97.4 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 124.281 1.032 . . . . 0.0 113.397 173.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 31.4 mtmm -66.77 -36.33 82.16 Favored 'General case' 0 C--N 1.349 0.555 0 N-CA-C 113.909 1.077 . . . . 0.0 113.909 174.492 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -91.0 11.51 22.67 Favored 'General case' 0 C--N 1.346 0.42 0 O-C-N 120.269 -1.519 . . . . 0.0 113.182 -175.23 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 96.58 86.29 1.78 Allowed Glycine 0 C--N 1.351 1.37 0 C-N-CA 124.545 1.069 . . . . 0.0 114.844 164.51 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -80.67 -42.58 0.13 Allowed 'Trans proline' 0 N--CA 1.459 -0.519 0 CA-C-N 121.733 2.766 . . . . 0.0 111.943 -165.431 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 49.4 tptt -76.18 -19.64 58.24 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-N 120.218 1.372 . . . . 0.0 112.034 177.571 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 87.3 mt -64.4 -36.41 84.06 Favored 'General case' 0 N--CA 1.45 -0.443 0 O-C-N 120.555 -1.341 . . . . 0.0 111.955 167.417 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -69.95 -47.39 62.52 Favored 'General case' 0 C--N 1.352 0.677 0 O-C-N 120.241 -1.537 . . . . 0.0 112.633 166.176 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 82.7 p -92.11 16.98 10.17 Favored 'General case' 0 C--N 1.349 0.557 0 O-C-N 120.071 -1.643 . . . . 0.0 114.673 -167.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.275 3.5 pp -70.09 -45.22 67.41 Favored 'General case' 0 C--N 1.347 0.499 0 O-C-N 119.498 -2.001 . . . . 0.0 113.37 162.113 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 15.7 m . . . . . 0 C--N 1.354 0.763 0 O-C-N 121.042 -1.036 . . . . 0.0 110.99 172.602 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo . . . . . 0 N--CA 1.462 -0.357 0 CA-C-O 118.951 -0.52 . . . . 0.0 113.004 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 20.9 tt -63.31 -47.44 92.02 Favored 'Isoleucine or valine' 0 C--N 1.348 0.542 0 CA-C-N 119.487 1.04 . . . . 0.0 113.738 177.064 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.4 pp -69.6 -35.87 75.7 Favored 'General case' 0 C--N 1.353 0.728 0 O-C-N 120.164 -1.585 . . . . 0.0 112.416 176.229 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.46 -42.09 99.23 Favored 'General case' 0 C--N 1.351 0.643 0 O-C-N 120.885 -1.135 . . . . 0.0 113.095 172.141 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 28.5 t -60.45 -41.96 95.18 Favored 'General case' 0 C--N 1.35 0.629 0 C-N-CA 124.566 1.147 . . . . 0.0 112.643 173.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 82.8 mt -65.93 -49.95 66.13 Favored 'General case' 0 C--N 1.347 0.466 0 O-C-N 120.169 -1.582 . . . . 0.0 113.341 171.15 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.29 -44.37 95.25 Favored 'General case' 0 C--N 1.347 0.477 0 N-CA-C 114.618 1.34 . . . . 0.0 114.618 -176.26 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.02 -43.38 95.78 Favored 'General case' 0 C--N 1.349 0.56 0 O-C-N 121.032 -1.042 . . . . 0.0 113.179 176.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.7 ttmp? -65.94 -38.5 88.78 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 125.64 1.576 . . . . 0.0 114.346 -178.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -77.15 -14.8 59.73 Favored 'General case' 0 C--N 1.349 0.562 0 O-C-N 121.294 -0.878 . . . . 0.0 112.996 177.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 100.99 85.05 1.84 Allowed Glycine 0 C--N 1.35 1.348 0 O-C-N 120.778 -1.201 . . . . 0.0 113.896 170.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -92.12 12.03 2.19 Favored 'Trans proline' 0 CA--C 1.515 -0.47 0 CA-C-N 121.863 2.831 . . . . 0.0 109.81 -160.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 47.7 mtpt -59.76 -44.26 93.94 Favored 'General case' 0 C--N 1.349 0.553 0 N-CA-C 114.158 1.169 . . . . 0.0 114.158 -171.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.4 tt -61.81 -45.74 92.51 Favored 'General case' 0 C--N 1.35 0.611 0 CA-C-O 122.003 0.906 . . . . 0.0 111.973 179.252 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -63.04 -39.51 94.97 Favored 'General case' 0 C--N 1.348 0.527 0 O-C-N 120.928 -1.108 . . . . 0.0 112.563 176.579 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 51.9 p -64.73 -45.79 85.03 Favored 'General case' 0 C--N 1.351 0.647 0 N-CA-C 115.083 1.512 . . . . 0.0 115.083 173.506 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.2 pp -76.24 -23.67 54.55 Favored 'General case' 0 C--N 1.356 0.887 0 O-C-N 120.585 -1.322 . . . . 0.0 113.429 -175.369 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.8 p . . . . . 0 C--N 1.35 0.598 0 CA-C-O 123.138 1.447 . . . . 0.0 109.255 173.239 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo . . . . . 0 CA--C 1.515 -0.439 0 CA-C-O 118.946 -0.523 . . . . 0.0 113.271 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.2 tt -63.04 -43.58 99.11 Favored 'Isoleucine or valine' 0 C--N 1.347 0.467 0 CA-C-N 119.284 0.947 . . . . 0.0 112.937 173.376 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 78.3 mt -66.81 -42.53 85.74 Favored 'General case' 0 C--N 1.349 0.566 0 C-N-CA 124.892 1.277 . . . . 0.0 111.888 175.558 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.2 -43.11 99.57 Favored 'General case' 0 N--CA 1.447 -0.622 0 C-N-CA 124.142 0.977 . . . . 0.0 113.289 174.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 19.9 t -61.78 -44.54 96.68 Favored 'General case' 0 C--N 1.349 0.577 0 C-N-CA 124.625 1.17 . . . . 0.0 112.663 173.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.0 tt -62.02 -45.2 94.66 Favored 'General case' 0 C--N 1.35 0.598 0 O-C-N 120.786 -1.196 . . . . 0.0 112.667 174.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.64 -41.83 99.25 Favored 'General case' 0 C--N 1.348 0.527 0 O-C-N 120.63 -1.294 . . . . 0.0 113.572 174.48 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.59 -41.9 98.09 Favored 'General case' 0 C--N 1.349 0.577 0 C-N-CA 124.955 1.302 . . . . 0.0 113.408 174.205 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.9 tptt -58.8 -40.46 84.13 Favored 'General case' 0 C--N 1.347 0.49 0 C-N-CA 126.177 1.791 . . . . 0.0 114.633 -176.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -98.72 5.29 47.71 Favored 'General case' 0 C--N 1.346 0.455 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 -174.087 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 98.34 79.96 1.5 Allowed Glycine 0 C--N 1.35 1.328 0 O-C-N 120.6 -1.313 . . . . 0.0 114.553 170.148 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -78.44 -7.5 15.92 Favored 'Trans proline' 0 CA--C 1.515 -0.458 0 CA-C-N 121.063 2.432 . . . . 0.0 111.191 -166.007 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.7 tmtm? -62.61 -39.69 94.59 Favored 'General case' 0 N--CA 1.447 -0.589 0 O-C-N 121.149 -0.969 . . . . 0.0 112.607 178.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.0 mp -60.21 -44.11 95.42 Favored 'General case' 0 C--N 1.349 0.558 0 C-N-CA 124.401 1.08 . . . . 0.0 111.749 176.195 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -62.91 -41.05 99.32 Favored 'General case' 0 C--N 1.347 0.481 0 C-N-CA 124.527 1.131 . . . . 0.0 112.667 174.314 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 39.9 p -63.58 -44.57 93.67 Favored 'General case' 0 C--N 1.353 0.738 0 N-CA-C 115.221 1.563 . . . . 0.0 115.221 174.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.0 pp -71.56 -35.08 70.48 Favored 'General case' 0 C--N 1.354 0.783 0 O-C-N 120.692 -1.255 . . . . 0.0 113.409 -177.126 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.3 p . . . . . 0 C--N 1.351 0.664 0 O-C-N 120.294 -1.504 . . . . 0.0 111.314 173.002 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 10.1 t80 . . . . . 0 N--CA 1.437 -1.102 0 N-CA-C 107.643 -1.243 . . . . 0.0 107.643 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.7 mp -63.7 136.03 96.54 Favored Pre-proline 0 C--N 1.35 0.59 0 O-C-N 120.739 -1.226 . . . . 0.0 112.457 -175.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -69.3 -34.82 15.25 Favored 'Trans proline' 0 CA--C 1.514 -0.496 0 C-N-CA 122.384 2.056 . . . . 0.0 112.909 -164.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 20.9 tt -64.08 -44.97 97.81 Favored 'Isoleucine or valine' 0 C--N 1.346 0.456 0 CA-C-N 119.161 0.891 . . . . 0.0 112.654 174.089 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 72.9 mt -67.05 -41.06 87.14 Favored 'General case' 0 N--CA 1.449 -0.518 0 O-C-N 120.438 -1.414 . . . . 0.0 112.15 176.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.12 -41.03 95.95 Favored 'General case' 0 C--N 1.348 0.534 0 C-N-CA 124.929 1.291 . . . . 0.0 113.043 172.45 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 42.4 t -59.55 -43.02 93.64 Favored 'General case' 0 C--N 1.351 0.671 0 O-C-N 120.95 -1.094 . . . . 0.0 112.775 173.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.9 mp -66.69 -48.33 69.61 Favored 'General case' 0 C--N 1.347 0.464 0 O-C-N 120.366 -1.459 . . . . 0.0 112.602 171.041 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.61 -43.47 98.74 Favored 'General case' 0 C--N 1.347 0.469 0 N-CA-C 114.918 1.451 . . . . 0.0 114.918 -176.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.46 -43.73 93.29 Favored 'General case' 0 N--CA 1.448 -0.543 0 O-C-N 120.925 -1.109 . . . . 0.0 113.041 174.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -65.7 -36.78 84.59 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 125.737 1.615 . . . . 0.0 114.345 179.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -93.21 8.59 39.62 Favored 'General case' 0 C--N 1.347 0.467 0 O-C-N 120.775 -1.203 . . . . 0.0 112.95 -177.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 99.7 84.58 1.8 Allowed Glycine 0 C--N 1.35 1.353 0 O-C-N 120.664 -1.272 . . . . 0.0 115.526 164.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -80.88 -14.12 11.3 Favored 'Trans proline' 0 N--CA 1.457 -0.629 0 CA-C-N 121.401 2.601 . . . . 0.0 110.257 -172.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.7 tptp -66.44 -41.56 88.96 Favored 'General case' 0 C--N 1.349 0.544 0 N-CA-C 114.224 1.194 . . . . 0.0 114.224 178.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.76 -40.57 88.28 Favored 'General case' 0 C--N 1.351 0.665 0 O-C-N 121.45 -0.781 . . . . 0.0 112.803 173.532 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -63.39 -46.68 85.34 Favored 'General case' 0 C--N 1.353 0.745 0 O-C-N 120.684 -1.26 . . . . 0.0 112.753 174.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.3 p -64.57 -32.49 74.16 Favored 'General case' 0 C--N 1.345 0.4 0 N-CA-C 115.981 1.845 . . . . 0.0 115.981 -176.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.283 2.3 pp -63.66 -38.71 92.15 Favored 'General case' 0 C--N 1.353 0.734 0 N-CA-C 116.038 1.866 . . . . 0.0 116.038 -175.177 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.1 t -100.95 3.75 10.56 Favored 'Isoleucine or valine' 0 C--N 1.354 0.769 0 O-C-N 120.506 -1.371 . . . . 0.0 109.364 171.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.436 6.1 t 44.89 53.92 7.17 Favored 'General case' 0 C--N 1.353 0.737 0 C-N-CA 128.022 2.529 . . . . 0.0 112.892 -166.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 161.77 128.96 0.0 OUTLIER 'General case' 0 C--N 1.349 0.586 0 C-N-CA 128.958 2.903 . . . . 0.0 106.072 -162.16 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -157.49 -67.4 0.1 Allowed 'General case' 0 C--N 1.35 0.62 0 O-C-N 120.335 -1.478 . . . . 0.0 111.175 161.238 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 25.3 m . . . . . 0 C--N 1.352 0.696 0 C-N-CA 129.011 2.924 . . . . 0.0 118.518 -169.761 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 . . . . . 0 N--CA 1.439 -1.018 0 N-CA-C 107.439 -1.319 . . . . 0.0 107.439 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.3 mm? 53.6 58.92 13.11 Favored Pre-proline 0 C--N 1.354 0.803 0 C-N-CA 125.105 1.362 . . . . 0.0 114.623 178.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_endo -63.43 -33.87 67.76 Favored 'Trans proline' 0 CA--C 1.516 -0.389 0 C-N-CA 123.406 2.737 . . . . 0.0 114.888 -155.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 8.7 tp -64.44 -44.22 97.01 Favored 'Isoleucine or valine' 0 C--N 1.347 0.48 0 CA-C-N 119.954 1.252 . . . . 0.0 112.953 174.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 78.5 mt -67.57 -42.13 83.06 Favored 'General case' 0 C--N 1.349 0.555 0 O-C-N 120.67 -1.269 . . . . 0.0 111.763 175.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.6 -42.13 98.44 Favored 'General case' 0 C--N 1.349 0.552 0 C-N-CA 124.286 1.034 . . . . 0.0 113.14 174.081 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 35.9 t -59.86 -42.55 93.94 Favored 'General case' 0 C--N 1.352 0.691 0 C-N-CA 124.926 1.29 . . . . 0.0 112.525 173.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.2 tt -66.33 -50.93 61.94 Favored 'General case' 0 C--N 1.347 0.487 0 O-C-N 120.781 -1.2 . . . . 0.0 112.347 172.013 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.35 -43.23 99.3 Favored 'General case' 0 C--N 1.348 0.504 0 N-CA-C 114.639 1.348 . . . . 0.0 114.639 -175.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.93 -41.63 99.54 Favored 'General case' 0 C--N 1.348 0.541 0 O-C-N 121.018 -1.051 . . . . 0.0 113.179 175.052 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.9 ttpm? -78.22 -19.27 54.15 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 124.617 1.167 . . . . 0.0 113.654 -175.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -96.49 2.92 52.93 Favored 'General case' 0 C--N 1.347 0.486 0 O-C-N 120.924 -1.11 . . . . 0.0 111.598 177.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 94.69 79.66 1.46 Allowed Glycine 0 C--N 1.35 1.352 0 O-C-N 120.396 -1.44 . . . . 0.0 114.79 168.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -79.13 -14.39 13.44 Favored 'Trans proline' 0 N--CA 1.459 -0.511 0 CA-C-N 121.395 2.598 . . . . 0.0 110.442 -166.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.7 tptt -62.57 -40.24 96.23 Favored 'General case' 0 N--CA 1.447 -0.6 0 O-C-N 121.322 -0.861 . . . . 0.0 112.479 174.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -62.54 -40.7 97.64 Favored 'General case' 0 C--N 1.349 0.566 0 C-N-CA 125.476 1.51 . . . . 0.0 111.845 176.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -62.96 -47.12 84.56 Favored 'General case' 0 C--N 1.351 0.671 0 O-C-N 121.017 -1.052 . . . . 0.0 112.06 171.495 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 59.2 p -57.7 -37.22 73.13 Favored 'General case' 0 C--N 1.351 0.653 0 N-CA-C 116.042 1.868 . . . . 0.0 116.042 -170.17 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.8 pp -72.11 -16.28 62.01 Favored 'General case' 0 C--N 1.348 0.537 0 N-CA-C 115.191 1.552 . . . . 0.0 115.191 -167.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.7 t -125.02 13.1 4.49 Favored 'Isoleucine or valine' 0 C--N 1.351 0.654 0 CA-C-O 122.419 1.104 . . . . 0.0 108.374 166.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.372 3.4 t 44.43 40.24 3.71 Favored 'General case' 0 C--N 1.354 0.796 0 C-N-CA 127.313 2.245 . . . . 0.0 114.725 -168.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.7 tptt 176.72 108.65 0.02 OUTLIER 'General case' 0 C--N 1.351 0.664 0 O-C-N 120.54 -1.35 . . . . 0.0 110.467 -164.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -161.35 165.14 29.45 Favored 'General case' 0 N--CA 1.448 -0.537 0 O-C-N 120.211 -1.555 . . . . 0.0 108.613 167.277 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 11.6 t . . . . . 0 C--N 1.35 0.593 0 C-N-CA 124.237 1.015 . . . . 0.0 113.094 -171.112 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 . . . . . 0 N--CA 1.444 -0.747 0 CA-C-O 121.285 0.564 . . . . 0.0 109.666 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 60.4 mt 51.63 56.77 16.46 Favored Pre-proline 0 C--N 1.349 0.584 0 C-N-CA 126.107 1.763 . . . . 0.0 115.493 178.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -63.97 -34.91 57.68 Favored 'Trans proline' 0 CA--C 1.517 -0.358 0 C-N-CA 123.312 2.675 . . . . 0.0 114.837 -154.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 8.1 tp -64.74 -45.01 96.44 Favored 'Isoleucine or valine' 0 C--N 1.348 0.52 0 CA-C-N 119.849 1.204 . . . . 0.0 112.793 174.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 84.8 mt -66.95 -41.52 86.78 Favored 'General case' 0 C--N 1.349 0.548 0 O-C-N 120.538 -1.351 . . . . 0.0 111.937 176.288 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.29 -42.44 98.66 Favored 'General case' 0 C--N 1.349 0.546 0 C-N-CA 124.366 1.066 . . . . 0.0 112.953 173.241 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 31.8 t -60.55 -42.32 96.34 Favored 'General case' 0 C--N 1.352 0.681 0 O-C-N 120.849 -1.157 . . . . 0.0 112.714 173.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 77.8 mt -65.35 -48.95 71.21 Favored 'General case' 0 C--N 1.346 0.436 0 O-C-N 120.166 -1.584 . . . . 0.0 113.077 171.369 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.24 -43.0 99.82 Favored 'General case' 0 C--N 1.347 0.485 0 N-CA-C 114.405 1.261 . . . . 0.0 114.405 -177.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.74 -41.41 99.18 Favored 'General case' 0 N--CA 1.448 -0.566 0 C-N-CA 124.323 1.049 . . . . 0.0 113.236 174.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.8 ttmp? -75.6 -22.38 56.96 Favored 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 124.488 1.115 . . . . 0.0 113.749 -175.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -99.41 6.06 46.14 Favored 'General case' 0 C--N 1.348 0.524 0 O-C-N 120.952 -1.092 . . . . 0.0 112.658 179.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 96.35 79.57 1.47 Allowed Glycine 0 C--N 1.35 1.332 0 O-C-N 120.623 -1.298 . . . . 0.0 114.507 169.113 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -80.36 -17.36 10.3 Favored 'Trans proline' 0 CA--C 1.511 -0.674 0 CA-C-N 121.347 2.574 . . . . 0.0 110.468 -164.098 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.6 tptt -65.9 -32.07 73.37 Favored 'General case' 0 C--N 1.349 0.556 0 O-C-N 121.279 -0.888 . . . . 0.0 112.92 176.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 76.5 mt -61.79 -43.37 98.99 Favored 'General case' 0 C--N 1.35 0.6 0 C-N-CA 124.309 1.043 . . . . 0.0 112.432 173.428 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -65.1 -43.19 92.88 Favored 'General case' 0 C--N 1.349 0.581 0 O-C-N 121.152 -0.968 . . . . 0.0 111.949 172.033 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 39.6 t -61.92 -43.78 98.14 Favored 'General case' 0 C--N 1.346 0.45 0 N-CA-C 114.889 1.44 . . . . 0.0 114.889 178.209 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.261 2.3 pp -65.06 -38.13 89.8 Favored 'General case' 0 C--N 1.351 0.655 0 N-CA-C 115.381 1.622 . . . . 0.0 115.381 -174.158 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.9 t -95.01 -3.24 10.63 Favored 'Isoleucine or valine' 0 C--N 1.35 0.616 0 O-C-N 120.721 -1.237 . . . . 0.0 109.674 176.183 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.458 6.2 t 48.73 57.61 6.16 Favored 'General case' 0 C--N 1.352 0.677 0 C-N-CA 127.475 2.31 . . . . 0.0 113.275 -169.458 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 148.11 153.76 0.0 OUTLIER 'General case' 0 C--N 1.355 0.823 0 C-N-CA 130.687 3.595 . . . . 0.0 107.869 -171.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.5 tptp -171.85 -51.56 0.02 OUTLIER 'General case' 0 C--N 1.349 0.576 0 O-C-N 120.814 -1.179 . . . . 0.0 110.259 172.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 21.6 m . . . . . 0 C--O 1.239 0.525 0 N-CA-C 117.046 2.239 . . . . 0.0 117.046 -179.233 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 . . . . . 0 N--CA 1.445 -0.703 0 CA-C-O 121.544 0.688 . . . . 0.0 110.44 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.7 mp -60.16 143.77 88.16 Favored Pre-proline 0 N--CA 1.45 -0.428 0 C-N-CA 125.577 1.551 . . . . 0.0 113.643 -173.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -64.97 -31.25 56.32 Favored 'Trans proline' 0 CA--C 1.516 -0.413 0 C-N-CA 122.723 2.282 . . . . 0.0 113.119 -169.151 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.1 tt -63.78 -47.24 91.82 Favored 'Isoleucine or valine' 0 C--N 1.347 0.464 0 CA-C-N 119.406 1.003 . . . . 0.0 113.698 175.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.7 pp -71.57 -36.67 71.0 Favored 'General case' 0 C--N 1.353 0.734 0 O-C-N 120.072 -1.642 . . . . 0.0 112.011 176.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.78 -41.85 98.24 Favored 'General case' 0 C--N 1.351 0.66 0 O-C-N 121.018 -1.051 . . . . 0.0 113.015 173.162 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 40.8 t -59.59 -42.78 93.33 Favored 'General case' 0 C--N 1.351 0.65 0 C-N-CA 124.859 1.264 . . . . 0.0 112.656 173.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 87.5 mt -66.74 -49.91 64.45 Favored 'General case' 0 C--N 1.346 0.439 0 O-C-N 120.614 -1.303 . . . . 0.0 113.121 171.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.74 -43.57 98.45 Favored 'General case' 0 C--N 1.347 0.494 0 N-CA-C 114.694 1.368 . . . . 0.0 114.694 -175.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.43 -44.39 91.34 Favored 'General case' 0 C--N 1.349 0.556 0 O-C-N 121.085 -1.009 . . . . 0.0 113.034 175.126 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.9 ttpm? -66.03 -37.36 85.67 Favored 'General case' 0 C--N 1.345 0.394 0 C-N-CA 125.925 1.69 . . . . 0.0 114.533 -179.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -76.66 -12.11 59.95 Favored 'General case' 0 C--N 1.347 0.49 0 O-C-N 120.872 -1.143 . . . . 0.0 113.108 175.417 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 97.97 88.18 1.89 Allowed Glycine 0 C--N 1.35 1.335 0 O-C-N 120.897 -1.127 . . . . 0.0 113.531 168.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -90.04 5.58 4.46 Favored 'Trans proline' 0 C--N 1.328 -0.548 0 CA-C-N 122.874 3.337 . . . . 0.0 110.204 -160.063 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.3 tptp -64.21 -40.55 96.3 Favored 'General case' 0 N--CA 1.449 -0.475 0 O-C-N 120.526 -1.359 . . . . 0.0 114.262 -177.325 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -73.95 -20.24 60.43 Favored 'General case' 0 C--N 1.351 0.645 0 O-C-N 120.729 -1.232 . . . . 0.0 113.358 177.121 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -70.48 -46.87 62.92 Favored 'General case' 0 C--N 1.352 0.694 0 O-C-N 120.874 -1.141 . . . . 0.0 110.895 165.321 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 76.9 p -58.25 -41.58 84.52 Favored 'General case' 0 C--N 1.353 0.747 0 N-CA-C 115.632 1.716 . . . . 0.0 115.632 -172.151 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.6 pp -74.52 -16.38 60.84 Favored 'General case' 0 C--N 1.349 0.582 0 N-CA-C 114.941 1.459 . . . . 0.0 114.941 -170.442 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.5 t -111.23 -0.8 9.61 Favored 'Isoleucine or valine' 0 C--N 1.35 0.623 0 CA-C-O 122.858 1.313 . . . . 0.0 108.38 171.265 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.424 7.0 t 38.02 58.18 1.5 Allowed 'General case' 0 C--N 1.354 0.799 0 C-N-CA 128.034 2.534 . . . . 0.0 113.351 -161.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 167.03 143.05 0.02 OUTLIER 'General case' 0 C--N 1.352 0.681 0 C-N-CA 126.29 1.836 . . . . 0.0 108.821 -161.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.23 -49.38 0.02 OUTLIER 'General case' 0 CA--C 1.51 -0.591 0 N-CA-C 107.145 -1.428 . . . . 0.0 107.145 167.025 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 47.7 t . . . . . 0 C--O 1.239 0.529 0 N-CA-C 106.767 -1.568 . . . . 0.0 106.767 155.027 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 10.8 t80 . . . . . 0 N--CA 1.444 -0.761 0 CA-C-O 123.309 1.528 . . . . 0.0 108.817 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 8.5 tt -57.36 -45.0 99.93 Favored Pre-proline 0 CA--C 1.535 0.403 0 CA-C-O 116.274 -1.822 . . . . 0.0 115.467 176.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -68.66 -32.92 22.89 Favored 'Trans proline' 0 C--N 1.345 0.365 0 CA-C-N 126.095 3.212 . . . . 0.0 113.697 -175.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 19.7 tt -67.43 -43.51 87.53 Favored 'Isoleucine or valine' 0 C--N 1.351 0.638 0 CA-C-N 120.453 1.479 . . . . 0.0 112.182 174.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 96.0 mt -61.87 -43.83 98.05 Favored 'General case' 0 C--N 1.352 0.705 0 O-C-N 120.606 -1.309 . . . . 0.0 112.709 173.2 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.82 -40.93 97.0 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 124.542 1.137 . . . . 0.0 113.271 174.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 36.1 t -59.42 -43.8 92.99 Favored 'General case' 0 C--N 1.351 0.64 0 C-N-CA 124.409 1.084 . . . . 0.0 112.722 175.042 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.0 mp -67.62 -49.74 61.49 Favored 'General case' 0 C--N 1.347 0.474 0 O-C-N 120.613 -1.304 . . . . 0.0 112.408 171.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.26 -43.14 99.5 Favored 'General case' 0 C--N 1.348 0.52 0 N-CA-C 114.754 1.39 . . . . 0.0 114.754 -175.321 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.37 -41.96 98.84 Favored 'General case' 0 N--CA 1.448 -0.554 0 O-C-N 121.025 -1.047 . . . . 0.0 112.987 174.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.2 ttpm? -76.26 -19.94 57.85 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 124.767 1.227 . . . . 0.0 113.599 -175.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -96.18 3.14 53.4 Favored 'General case' 0 C--N 1.347 0.477 0 O-C-N 120.686 -1.259 . . . . 0.0 112.252 176.114 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 93.05 79.68 1.44 Allowed Glycine 0 C--N 1.35 1.32 0 O-C-N 120.604 -1.31 . . . . 0.0 114.661 168.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -79.32 -17.06 11.79 Favored 'Trans proline' 0 CA--C 1.512 -0.581 0 CA-C-N 121.532 2.666 . . . . 0.0 110.183 -164.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.8 tptt -62.83 -38.31 90.27 Favored 'General case' 0 N--CA 1.448 -0.538 0 O-C-N 121.224 -0.922 . . . . 0.0 112.521 174.197 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.3 mp -63.15 -38.47 91.3 Favored 'General case' 0 C--N 1.35 0.587 0 C-N-CA 125.688 1.595 . . . . 0.0 112.224 176.11 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -66.22 -44.69 83.1 Favored 'General case' 0 C--N 1.348 0.527 0 C-N-CA 124.532 1.133 . . . . 0.0 112.45 171.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 82.1 p -56.44 -39.79 73.71 Favored 'General case' 0 C--N 1.351 0.648 0 N-CA-C 118.139 2.644 . . . . 0.0 118.139 -163.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.478 ' H ' HD23 ' A' ' 19' ' ' LEU . 0.5 OUTLIER -61.12 -40.11 92.54 Favored 'General case' 0 C--N 1.351 0.643 0 N-CA-C 115.69 1.737 . . . . 0.0 115.69 -168.449 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.5 t -106.07 -2.12 9.92 Favored 'Isoleucine or valine' 0 C--N 1.348 0.514 0 CA-C-O 123.016 1.389 . . . . 0.0 108.577 174.48 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.454 3.7 t 49.92 46.31 24.36 Favored 'General case' 0 C--N 1.35 0.625 0 C-N-CA 128.834 2.854 . . . . 0.0 113.279 -163.585 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.0 mmtp -149.31 135.95 19.46 Favored 'General case' 0 C--N 1.351 0.643 0 O-C-N 120.358 -1.464 . . . . 0.0 107.923 -178.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.6 tptp -162.56 174.37 12.73 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 104.891 -2.263 . . . . 0.0 104.891 162.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 81.1 p . . . . . 0 C--N 1.354 0.79 0 N-CA-C 117.229 2.307 . . . . 0.0 117.229 175.866 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 . . . . . 0 N--CA 1.442 -0.858 0 CA-C-O 122.169 0.985 . . . . 0.0 108.997 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 8.4 tt -58.19 -46.57 99.65 Favored Pre-proline 0 N--CA 1.452 -0.372 0 CA-C-O 116.285 -1.817 . . . . 0.0 115.326 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -71.09 -33.98 10.94 Favored 'Trans proline' 0 N--CA 1.461 -0.393 0 CA-C-N 125.9 3.143 . . . . 0.0 112.871 -175.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 20.0 tt -67.26 -44.45 87.48 Favored 'Isoleucine or valine' 0 C--N 1.35 0.592 0 CA-C-N 120.08 1.309 . . . . 0.0 112.302 175.377 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 88.9 mt -63.09 -42.9 99.7 Favored 'General case' 0 C--N 1.351 0.639 0 O-C-N 120.505 -1.372 . . . . 0.0 112.752 174.215 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.73 -40.93 96.79 Favored 'General case' 0 C--N 1.35 0.603 0 O-C-N 120.984 -1.073 . . . . 0.0 113.237 173.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 33.0 t -59.93 -43.08 95.14 Favored 'General case' 0 C--N 1.35 0.628 0 O-C-N 120.916 -1.115 . . . . 0.0 112.687 174.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.6 mp -66.74 -48.61 68.62 Favored 'General case' 0 C--N 1.346 0.424 0 O-C-N 120.034 -1.667 . . . . 0.0 112.71 171.457 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.9 -43.92 97.48 Favored 'General case' 0 C--N 1.347 0.484 0 N-CA-C 114.947 1.462 . . . . 0.0 114.947 -176.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.83 -42.57 94.85 Favored 'General case' 0 N--CA 1.449 -0.522 0 O-C-N 120.962 -1.086 . . . . 0.0 113.244 175.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.7 ttmp? -65.1 -37.39 87.34 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 125.378 1.471 . . . . 0.0 114.188 -179.158 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -94.59 9.21 39.55 Favored 'General case' 0 C--N 1.347 0.498 0 O-C-N 120.952 -1.092 . . . . 0.0 113.347 -175.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 98.99 80.07 1.5 Allowed Glycine 0 C--N 1.351 1.361 0 O-C-N 120.721 -1.237 . . . . 0.0 115.051 166.362 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -80.08 -18.76 9.86 Favored 'Trans proline' 0 CA--C 1.512 -0.623 0 CA-C-N 121.305 2.552 . . . . 0.0 110.874 -164.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 26.5 mmtp -62.19 -37.79 86.65 Favored 'General case' 0 C--N 1.35 0.622 0 N-CA-C 113.264 0.838 . . . . 0.0 113.264 175.095 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 77.6 mt -62.24 -41.1 98.11 Favored 'General case' 0 C--N 1.348 0.533 0 C-N-CA 123.917 0.887 . . . . 0.0 111.604 175.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -66.67 -46.27 76.19 Favored 'General case' 0 C--N 1.35 0.605 0 O-C-N 121.33 -0.856 . . . . 0.0 112.85 171.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 59.6 p -65.34 -42.99 92.31 Favored 'General case' 0 C--N 1.35 0.623 0 N-CA-C 115.37 1.618 . . . . 0.0 115.37 -176.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.5 pp -64.91 -38.94 92.63 Favored 'General case' 0 C--N 1.353 0.756 0 N-CA-C 114.575 1.324 . . . . 0.0 114.575 -174.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.0 t -88.17 -12.88 10.25 Favored 'Isoleucine or valine' 0 C--N 1.35 0.624 0 CA-C-O 122.987 1.375 . . . . 0.0 109.968 174.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.444 6.9 t 48.16 52.45 13.25 Favored 'General case' 0 C--N 1.352 0.694 0 C-N-CA 128.22 2.608 . . . . 0.0 112.191 -166.648 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.8 mtmm 164.62 107.94 0.0 OUTLIER 'General case' 0 C--N 1.358 0.958 0 C-N-CA 128.315 2.646 . . . . 0.0 108.775 -166.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.1 tptp -155.28 52.42 0.6 Allowed 'General case' 0 C--N 1.351 0.651 0 O-C-N 119.719 -1.863 . . . . 0.0 110.929 168.029 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 31.4 p . . . . . 0 C--O 1.239 0.522 0 O-C-N 119.653 -1.904 . . . . 0.0 110.681 169.917 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 . . . . . 0 N--CA 1.445 -0.725 0 CA-C-O 121.565 0.698 . . . . 0.0 110.422 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.7 mp -59.6 144.96 84.05 Favored Pre-proline 0 N--CA 1.45 -0.462 0 C-N-CA 125.909 1.684 . . . . 0.0 113.8 -173.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -64.23 -31.04 64.27 Favored 'Trans proline' 0 CA--C 1.517 -0.372 0 C-N-CA 122.776 2.317 . . . . 0.0 113.274 -169.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.1 tt -63.72 -46.55 94.3 Favored 'Isoleucine or valine' 0 C--N 1.346 0.451 0 N-CA-C 113.684 0.994 . . . . 0.0 113.684 174.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.5 pp -72.18 -35.93 69.11 Favored 'General case' 0 C--N 1.354 0.795 0 O-C-N 120.315 -1.491 . . . . 0.0 111.906 176.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.71 -42.89 99.55 Favored 'General case' 0 C--N 1.35 0.61 0 O-C-N 120.588 -1.32 . . . . 0.0 112.853 172.048 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 33.0 t -60.92 -44.22 97.5 Favored 'General case' 0 C--N 1.351 0.66 0 O-C-N 120.82 -1.175 . . . . 0.0 113.286 175.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . 0.251 3.1 pp -69.76 -42.87 73.29 Favored 'General case' 0 C--N 1.35 0.601 0 O-C-N 119.817 -1.802 . . . . 0.0 113.394 172.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.71 -43.42 98.84 Favored 'General case' 0 C--N 1.35 0.605 0 O-C-N 120.212 -1.555 . . . . 0.0 114.56 179.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.95 -43.54 98.52 Favored 'General case' 0 C--N 1.35 0.606 0 CA-C-O 122.213 1.006 . . . . 0.0 112.892 174.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.8 ttmp? -65.06 -36.21 83.61 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 125.646 1.578 . . . . 0.0 113.677 178.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -94.0 12.96 24.4 Favored 'General case' 0 C--N 1.348 0.52 0 O-C-N 120.543 -1.348 . . . . 0.0 113.377 -177.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 95.96 83.29 1.65 Allowed Glycine 0 C--N 1.351 1.408 0 N-CA-C 115.955 1.142 . . . . 0.0 115.955 162.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -86.58 -26.47 0.99 Allowed 'Trans proline' 0 CA--C 1.512 -0.623 0 CA-C-N 121.668 2.734 . . . . 0.0 110.517 -165.023 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.3 tptt -63.35 -40.76 98.17 Favored 'General case' 0 C--N 1.351 0.648 0 CA-C-N 119.685 1.13 . . . . 0.0 112.205 176.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 83.5 mt -61.7 -40.09 93.78 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 125.132 1.373 . . . . 0.0 112.774 172.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -62.52 -44.8 95.48 Favored 'General case' 0 C--N 1.354 0.801 0 O-C-N 120.898 -1.126 . . . . 0.0 111.783 171.473 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 56.2 p -60.25 -40.31 89.83 Favored 'General case' 0 C--N 1.35 0.618 0 N-CA-C 115.902 1.815 . . . . 0.0 115.902 -174.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.3 pp -65.92 -36.94 84.76 Favored 'General case' 0 C--N 1.351 0.651 0 N-CA-C 115.337 1.606 . . . . 0.0 115.337 -172.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.8 t -97.51 -0.7 10.43 Favored 'Isoleucine or valine' 0 C--N 1.351 0.647 0 CA-C-O 122.79 1.281 . . . . 0.0 109.294 173.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.436 6.5 t 44.61 54.57 6.42 Favored 'General case' 0 C--N 1.353 0.727 0 C-N-CA 128.32 2.648 . . . . 0.0 112.659 -166.521 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 165.62 129.83 0.01 OUTLIER 'General case' 0 C--N 1.351 0.656 0 C-N-CA 127.384 2.274 . . . . 0.0 108.295 -162.557 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 19.5 pttp -161.8 170.03 20.29 Favored 'General case' 0 C--N 1.348 0.505 0 O-C-N 120.73 -1.231 . . . . 0.0 107.862 153.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 63.6 m . . . . . 0 C--N 1.35 0.618 0 N-CA-C 114.525 1.305 . . . . 0.0 114.525 169.211 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 52.5 p90 . . . . . 0 N--CA 1.438 -1.057 0 CA-C-O 121.353 0.597 . . . . 0.0 109.823 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 94.7 mt -120.36 143.31 35.64 Favored Pre-proline 0 C--N 1.348 0.524 0 O-C-N 121.205 -0.934 . . . . 0.0 108.571 178.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -65.23 -31.4 53.63 Favored 'Trans proline' 0 CA--C 1.516 -0.39 0 C-N-CA 123.229 2.619 . . . . 0.0 113.023 -172.188 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.0 tt -62.6 -44.3 99.26 Favored 'Isoleucine or valine' 0 C--N 1.347 0.497 0 CA-C-N 119.371 0.987 . . . . 0.0 112.802 174.132 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 85.8 mt -65.11 -43.18 92.85 Favored 'General case' 0 C--N 1.35 0.592 0 O-C-N 120.576 -1.328 . . . . 0.0 111.838 175.345 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.32 -40.34 93.84 Favored 'General case' 0 C--N 1.35 0.597 0 C-N-CA 124.37 1.068 . . . . 0.0 113.219 174.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 32.2 t -58.83 -43.52 90.71 Favored 'General case' 0 C--N 1.35 0.592 0 C-N-CA 124.455 1.102 . . . . 0.0 113.022 176.106 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.9 mp -69.99 -49.43 51.61 Favored 'General case' 0 C--N 1.347 0.492 0 O-C-N 120.467 -1.396 . . . . 0.0 112.288 171.18 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.84 -43.51 98.61 Favored 'General case' 0 C--N 1.349 0.576 0 N-CA-C 114.927 1.454 . . . . 0.0 114.927 -173.441 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.47 -42.37 78.81 Favored 'General case' 0 N--CA 1.448 -0.546 0 O-C-N 120.738 -1.226 . . . . 0.0 113.652 174.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.9 ttpm? -68.38 -44.33 75.38 Favored 'General case' 0 C--N 1.349 0.547 0 N-CA-C 114.684 1.364 . . . . 0.0 114.684 -176.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -68.37 -38.77 81.72 Favored 'General case' 0 C--N 1.351 0.637 0 CA-C-O 123.555 1.645 . . . . 0.0 110.483 165.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 90.57 139.9 8.23 Favored Glycine 0 C--N 1.341 0.857 0 C-N-CA 126.646 2.07 . . . . 0.0 111.317 174.235 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -89.91 11.01 2.92 Favored 'Trans proline' 0 C--N 1.327 -0.586 0 CA-C-N 121.648 2.724 . . . . 0.0 110.496 -162.287 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.442 ' H ' ' HD3' ' A' ' 15' ' ' LYS . 1.1 mppt? -53.98 -44.07 70.48 Favored 'General case' 0 C--N 1.351 0.631 0 C-N-CA 126.465 1.906 . . . . 0.0 113.706 -173.781 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.474 HD22 ' H ' ' A' ' 16' ' ' LEU . 2.2 mm? -65.31 -39.09 92.04 Favored 'General case' 0 N--CA 1.446 -0.627 0 C-N-CA 124.775 1.23 . . . . 0.0 112.536 179.002 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -74.38 -47.28 35.06 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 126.548 1.939 . . . . 0.0 112.126 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 71.0 p -62.16 -44.76 95.9 Favored 'General case' 0 C--N 1.348 0.537 0 N-CA-C 115.156 1.539 . . . . 0.0 115.156 -167.134 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.8 pp -76.36 -15.09 60.04 Favored 'General case' 0 C--N 1.347 0.46 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 -175.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 25.0 t -108.47 3.84 9.56 Favored 'Isoleucine or valine' 0 C--N 1.352 0.675 0 CA-C-O 122.89 1.328 . . . . 0.0 108.672 174.109 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.382 8.8 t 52.96 1.92 0.02 OUTLIER 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 129.088 2.955 . . . . 0.0 116.605 -176.012 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -155.1 157.39 37.42 Favored 'General case' 0 C--N 1.346 0.434 0 O-C-N 119.252 -2.155 . . . . 0.0 107.453 176.528 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.6 tptt -160.57 171.5 18.84 Favored 'General case' 0 C--N 1.349 0.571 0 N-CA-C 107.564 -1.272 . . . . 0.0 107.564 169.041 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 45.6 t . . . . . 0 CA--C 1.509 -0.621 0 N-CA-C 106.215 -1.772 . . . . 0.0 106.215 169.639 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 32.9 t80 . . . . . 0 N--CA 1.438 -1.074 0 N-CA-C 107.218 -1.401 . . . . 0.0 107.218 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 72.0 mt 72.6 119.0 0.03 OUTLIER Pre-proline 0 C--N 1.352 0.71 0 C-N-CA 126.584 1.954 . . . . 0.0 114.497 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -62.78 -31.67 78.28 Favored 'Trans proline' 0 CA--C 1.517 -0.345 0 C-N-CA 122.976 2.451 . . . . 0.0 113.655 -170.079 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 7.8 tp -63.76 -45.73 96.44 Favored 'Isoleucine or valine' 0 C--N 1.348 0.529 0 CA-C-N 119.546 1.067 . . . . 0.0 113.002 173.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 83.1 mt -67.36 -41.91 84.31 Favored 'General case' 0 C--N 1.349 0.565 0 O-C-N 120.352 -1.467 . . . . 0.0 111.962 176.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.87 -41.8 96.67 Favored 'General case' 0 C--N 1.349 0.553 0 C-N-CA 124.13 0.972 . . . . 0.0 113.114 173.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 39.8 t -59.98 -43.21 95.27 Favored 'General case' 0 C--N 1.352 0.689 0 C-N-CA 124.625 1.17 . . . . 0.0 112.778 173.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 77.6 mt -67.18 -48.69 67.2 Favored 'General case' 0 C--N 1.345 0.409 0 O-C-N 120.395 -1.44 . . . . 0.0 113.02 172.458 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.03 -43.8 97.68 Favored 'General case' 0 C--N 1.348 0.515 0 N-CA-C 114.741 1.385 . . . . 0.0 114.741 -176.565 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.91 -44.15 90.52 Favored 'General case' 0 C--N 1.349 0.572 0 O-C-N 120.966 -1.084 . . . . 0.0 113.069 175.157 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.1 ttpm? -65.6 -36.61 84.25 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 125.648 1.579 . . . . 0.0 114.606 -179.221 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -92.07 6.0 48.13 Favored 'General case' 0 C--N 1.346 0.452 0 O-C-N 120.773 -1.204 . . . . 0.0 112.48 -177.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 95.84 83.32 1.65 Allowed Glycine 0 C--N 1.351 1.366 0 O-C-N 120.795 -1.19 . . . . 0.0 114.198 166.462 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -74.69 -7.24 19.2 Favored 'Trans proline' 0 C--N 1.331 -0.345 0 CA-C-N 122.037 2.918 . . . . 0.0 111.941 -166.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.2 tptt -62.49 -42.11 99.26 Favored 'General case' 0 N--CA 1.445 -0.69 0 O-C-N 120.964 -1.085 . . . . 0.0 113.611 176.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.3 pp -63.55 -38.47 91.25 Favored 'General case' 0 C--N 1.353 0.738 0 C-N-CA 123.758 0.823 . . . . 0.0 113.033 176.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -62.59 -45.33 93.4 Favored 'General case' 0 C--N 1.35 0.605 0 C-N-CA 125.286 1.434 . . . . 0.0 111.548 171.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 53.5 p -60.45 -41.58 94.36 Favored 'General case' 0 C--N 1.351 0.664 0 N-CA-C 115.666 1.728 . . . . 0.0 115.666 -177.465 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.4 pp -77.31 -16.27 59.03 Favored 'General case' 0 C--N 1.351 0.653 0 N-CA-C 114.807 1.41 . . . . 0.0 114.807 -166.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.8 t -120.53 23.5 4.82 Favored 'Isoleucine or valine' 0 C--N 1.35 0.604 0 CA-C-O 122.37 1.081 . . . . 0.0 108.099 169.391 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.39 8.9 t 62.67 -28.26 0.07 Allowed 'General case' 0 C--N 1.352 0.7 0 C-N-CA 129.496 3.118 . . . . 0.0 116.822 179.012 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -148.43 152.58 37.21 Favored 'General case' 0 C--N 1.346 0.418 0 O-C-N 120.106 -1.621 . . . . 0.0 109.162 168.379 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 69.2 mmtt -145.53 165.43 28.64 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 106.248 -1.76 . . . . 0.0 106.248 168.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 34.4 p . . . . . 0 C--N 1.345 0.381 0 O-C-N 121.487 -0.758 . . . . 0.0 109.901 168.631 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 . . . . . 0 N--CA 1.445 -0.722 0 CA-C-O 121.502 0.667 . . . . 0.0 109.98 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.2 mp -60.41 147.39 82.54 Favored Pre-proline 0 N--CA 1.45 -0.442 0 C-N-CA 125.85 1.66 . . . . 0.0 112.32 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_endo -62.99 -32.15 76.39 Favored 'Trans proline' 0 CA--C 1.516 -0.39 0 C-N-CA 122.992 2.461 . . . . 0.0 113.757 -168.28 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.1 tt -62.8 -43.54 98.86 Favored 'Isoleucine or valine' 0 C--N 1.347 0.487 0 CA-C-N 119.376 0.989 . . . . 0.0 113.02 172.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 79.4 mt -66.48 -43.0 86.63 Favored 'General case' 0 C--N 1.351 0.645 0 C-N-CA 125.162 1.385 . . . . 0.0 111.902 176.153 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.31 -44.05 97.41 Favored 'General case' 0 N--CA 1.446 -0.63 0 O-C-N 121.239 -0.913 . . . . 0.0 113.125 174.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.8 t -62.17 -47.83 82.76 Favored 'General case' 0 C--N 1.35 0.609 0 C-N-CA 124.19 0.996 . . . . 0.0 113.064 176.351 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.5 pp -65.71 -38.44 89.2 Favored 'General case' 0 C--N 1.353 0.758 0 O-C-N 119.997 -1.69 . . . . 0.0 113.224 175.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.31 -42.61 99.51 Favored 'General case' 0 C--N 1.35 0.625 0 O-C-N 120.496 -1.377 . . . . 0.0 113.774 173.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.24 -47.31 80.14 Favored 'General case' 0 C--N 1.35 0.607 0 C-N-CA 124.293 1.037 . . . . 0.0 113.331 172.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.0 tmtt? -63.89 -35.9 82.18 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 125.438 1.495 . . . . 0.0 113.805 178.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 -96.75 20.65 10.6 Favored 'General case' 0 C--N 1.346 0.443 0 O-C-N 120.344 -1.473 . . . . 0.0 112.709 176.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 92.28 95.61 1.38 Allowed Glycine 0 C--N 1.352 1.418 0 O-C-N 120.041 -1.662 . . . . 0.0 116.207 162.047 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_endo -96.84 -29.06 0.06 OUTLIER 'Trans proline' 0 CA--C 1.514 -0.513 0 CA-C-N 121.125 2.462 . . . . 0.0 110.652 -167.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.1 tptt -65.5 -34.12 77.53 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-N 120.48 1.491 . . . . 0.0 112.713 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.7 mp -59.87 -40.66 89.39 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 125.4 1.48 . . . . 0.0 112.095 172.01 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 38.0 t80 -65.86 -45.16 83.16 Favored 'General case' 0 C--N 1.356 0.868 0 O-C-N 120.858 -1.151 . . . . 0.0 111.299 169.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 27.0 t -58.25 -41.49 84.31 Favored 'General case' 0 C--N 1.346 0.454 0 N-CA-C 114.895 1.443 . . . . 0.0 114.895 -175.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.252 1.9 pp -63.91 -38.07 89.74 Favored 'General case' 0 C--N 1.35 0.598 0 N-CA-C 115.979 1.844 . . . . 0.0 115.979 -176.36 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.7 t -99.24 -1.21 10.08 Favored 'Isoleucine or valine' 0 C--N 1.352 0.689 0 O-C-N 120.479 -1.388 . . . . 0.0 109.996 176.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.438 6.1 t 45.81 52.98 9.27 Favored 'General case' 0 C--N 1.353 0.748 0 C-N-CA 127.263 2.225 . . . . 0.0 112.071 -162.237 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 171.82 136.18 0.03 OUTLIER 'General case' 0 C--N 1.349 0.565 0 C-N-CA 126.719 2.007 . . . . 0.0 107.346 -158.237 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.1 pttm -159.55 164.85 33.95 Favored 'General case' 0 CA--C 1.511 -0.528 0 O-C-N 120.631 -1.293 . . . . 0.0 108.082 155.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.3 t . . . . . 0 C--N 1.349 0.575 0 CA-C-O 121.89 0.852 . . . . 0.0 111.36 174.708 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 23.2 t80 . . . . . 0 N--CA 1.443 -0.782 0 CA-C-O 122.965 1.364 . . . . 0.0 108.684 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -57.33 -45.1 99.93 Favored Pre-proline 0 CA--C 1.538 0.501 0 CA-C-O 116.462 -1.732 . . . . 0.0 114.803 175.31 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -67.55 -33.2 29.4 Favored 'Trans proline' 0 C--N 1.345 0.36 0 CA-C-N 126.094 3.212 . . . . 0.0 113.916 -177.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 8.9 tp -67.74 -43.12 86.69 Favored 'Isoleucine or valine' 0 C--N 1.352 0.686 0 CA-C-N 120.551 1.523 . . . . 0.0 111.899 174.526 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 95.7 mt -61.42 -43.74 98.35 Favored 'General case' 0 C--N 1.352 0.7 0 O-C-N 120.384 -1.447 . . . . 0.0 112.88 172.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.73 -41.19 97.31 Favored 'General case' 0 C--N 1.349 0.564 0 C-N-CA 124.514 1.126 . . . . 0.0 113.329 174.481 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 44.1 t -59.3 -43.93 92.57 Favored 'General case' 0 C--N 1.351 0.668 0 C-N-CA 124.515 1.126 . . . . 0.0 112.617 174.565 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.9 mp -67.56 -47.72 69.01 Favored 'General case' 0 C--N 1.346 0.428 0 O-C-N 120.411 -1.43 . . . . 0.0 112.649 171.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.83 -43.99 97.33 Favored 'General case' 0 C--N 1.346 0.415 0 N-CA-C 115.015 1.487 . . . . 0.0 115.015 -176.455 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.7 -43.91 91.98 Favored 'General case' 0 C--N 1.35 0.603 0 O-C-N 121.159 -0.963 . . . . 0.0 112.982 175.379 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -64.92 -37.53 87.95 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 125.394 1.477 . . . . 0.0 113.81 178.13 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -94.44 16.59 14.85 Favored 'General case' 0 C--N 1.347 0.486 0 O-C-N 120.411 -1.431 . . . . 0.0 113.491 -177.337 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 95.12 83.58 1.63 Allowed Glycine 0 C--N 1.349 1.258 0 O-C-N 120.603 -1.31 . . . . 0.0 115.787 162.511 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -89.86 -20.39 1.18 Allowed 'Trans proline' 0 CA--C 1.511 -0.626 0 CA-C-N 120.796 2.298 . . . . 0.0 110.361 -166.523 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.2 tptp -66.74 -41.12 88.35 Favored 'General case' 0 C--N 1.35 0.591 0 O-C-N 120.625 -1.297 . . . . 0.0 113.226 178.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.4 mp -63.54 -44.52 93.93 Favored 'General case' 0 C--N 1.348 0.519 0 C-N-CA 124.883 1.273 . . . . 0.0 111.19 172.624 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.15 -46.26 91.29 Favored 'General case' 0 C--N 1.35 0.63 0 C-N-CA 124.417 1.087 . . . . 0.0 112.141 178.577 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.2 p -66.91 -41.5 87.02 Favored 'General case' 0 C--N 1.345 0.395 0 N-CA-C 115.444 1.646 . . . . 0.0 115.444 174.404 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.253 2.2 pp -69.48 -35.56 75.7 Favored 'General case' 0 C--N 1.357 0.892 0 O-C-N 119.893 -1.754 . . . . 0.0 114.418 -179.737 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 47.4 t -90.37 -9.2 10.52 Favored 'Isoleucine or valine' 0 C--N 1.35 0.596 0 O-C-N 120.462 -1.399 . . . . 0.0 110.331 179.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.383 3.0 t 55.51 9.67 0.41 Allowed 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 130.316 3.446 . . . . 0.0 115.962 -171.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -159.96 151.18 19.49 Favored 'General case' 0 N--CA 1.441 -0.884 0 N-CA-C 104.931 -2.248 . . . . 0.0 104.931 170.044 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.5 tmmt? -175.72 -49.7 0.01 OUTLIER 'General case' 0 C--N 1.35 0.602 0 CA-C-N 119.028 0.831 . . . . 0.0 108.882 -178.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 46.8 m . . . . . 0 C--N 1.35 0.589 0 N-CA-C 114.727 1.38 . . . . 0.0 114.727 176.307 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 50.8 p90 . . . . . 0 N--CA 1.443 -0.777 0 CA-C-O 121.669 0.747 . . . . 0.0 110.119 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 64.8 mt 57.86 57.98 7.01 Favored Pre-proline 0 C--N 1.349 0.555 0 C-N-CA 126.008 1.723 . . . . 0.0 114.239 -177.223 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo -61.27 -37.86 70.03 Favored 'Trans proline' 0 CA--C 1.513 -0.547 0 C-N-CA 123.703 2.936 . . . . 0.0 115.161 -155.168 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.5 tt -64.14 -44.32 97.57 Favored 'Isoleucine or valine' 0 C--N 1.347 0.464 0 CA-C-N 119.814 1.188 . . . . 0.0 113.207 176.47 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 85.9 mt -68.11 -42.46 80.22 Favored 'General case' 0 C--N 1.349 0.575 0 O-C-N 120.686 -1.259 . . . . 0.0 111.895 176.221 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.13 -44.08 97.43 Favored 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 124.267 1.027 . . . . 0.0 113.22 175.41 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 21.8 t -62.62 -45.31 93.44 Favored 'General case' 0 C--N 1.35 0.619 0 C-N-CA 124.306 1.043 . . . . 0.0 112.446 173.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.0 tt -60.87 -45.34 94.94 Favored 'General case' 0 C--N 1.351 0.65 0 O-C-N 120.581 -1.324 . . . . 0.0 112.737 176.282 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.62 -44.0 97.39 Favored 'General case' 0 C--N 1.35 0.595 0 C-N-CA 124.339 1.055 . . . . 0.0 113.438 174.145 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.03 -43.46 95.3 Favored 'General case' 0 C--N 1.351 0.661 0 C-N-CA 124.787 1.235 . . . . 0.0 112.635 175.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -72.75 -11.7 60.72 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 126.654 1.982 . . . . 0.0 113.38 179.664 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -104.15 0.04 29.12 Favored 'General case' 0 C--N 1.346 0.455 0 O-C-N 119.273 -2.142 . . . . 0.0 112.54 170.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 89.06 80.02 1.31 Allowed Glycine 0 C--N 1.349 1.255 0 O-C-N 120.688 -1.257 . . . . 0.0 114.463 170.177 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -92.04 8.4 2.97 Favored 'Trans proline' 0 CA--C 1.512 -0.591 0 CA-C-N 121.935 2.867 . . . . 0.0 110.062 -158.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -62.27 -38.9 91.11 Favored 'General case' 0 C--N 1.348 0.501 0 C-N-CA 125.12 1.368 . . . . 0.0 112.629 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.6 mp -62.26 -43.85 97.89 Favored 'General case' 0 C--N 1.348 0.542 0 C-N-CA 123.856 0.863 . . . . 0.0 111.542 175.127 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -65.61 -41.42 92.75 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 124.592 1.157 . . . . 0.0 112.987 176.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 86.4 p -66.28 -43.27 86.87 Favored 'General case' 0 C--N 1.351 0.658 0 N-CA-C 114.716 1.376 . . . . 0.0 114.716 173.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.8 pp -66.5 -32.56 73.99 Favored 'General case' 0 C--N 1.355 0.847 0 CA-C-N 119.836 1.198 . . . . 0.0 113.928 -178.646 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 22.8 m -88.95 8.59 2.86 Favored 'Isoleucine or valine' 0 C--N 1.351 0.668 0 O-C-N 120.325 -1.484 . . . . 0.0 111.068 174.44 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.37 10.9 t 44.68 53.92 6.92 Favored 'General case' 0 C--N 1.353 0.761 0 C-N-CA 128.244 2.618 . . . . 0.0 113.651 -178.192 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.7 mtmp? 70.02 -20.37 0.19 Allowed 'General case' 0 C--N 1.348 0.513 0 C-N-CA 126.318 1.847 . . . . 0.0 115.794 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.8 tmtt? -66.1 -41.86 90.06 Favored 'General case' 0 C--N 1.351 0.672 0 C-N-CA 125.358 1.463 . . . . 0.0 114.893 -173.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 9.5 t . . . . . 0 C--O 1.24 0.59 0 N-CA-C 116.031 1.863 . . . . 0.0 116.031 176.087 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 32.2 p90 . . . . . 0 N--CA 1.438 -1.039 0 CA-C-O 121.233 0.539 . . . . 0.0 109.619 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.9 mp -102.39 109.41 60.43 Favored Pre-proline 0 C--N 1.349 0.557 0 O-C-N 120.786 -1.196 . . . . 0.0 108.893 179.013 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -75.73 -28.06 8.34 Favored 'Trans proline' 0 CA--C 1.51 -0.7 0 CA-C-N 122.115 1.791 . . . . 0.0 111.846 -164.611 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 20.7 tt -62.64 -45.01 99.86 Favored 'Isoleucine or valine' 0 C--N 1.347 0.491 0 CA-C-N 119.204 0.911 . . . . 0.0 112.702 174.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 78.3 mt -66.47 -41.38 89.08 Favored 'General case' 0 C--N 1.35 0.596 0 O-C-N 120.626 -1.296 . . . . 0.0 112.291 175.459 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.81 -42.37 98.93 Favored 'General case' 0 C--N 1.349 0.555 0 N-CA-C 113.454 0.909 . . . . 0.0 113.454 174.594 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.9 t -61.18 -45.83 93.01 Favored 'General case' 0 C--N 1.35 0.6 0 C-N-CA 124.464 1.106 . . . . 0.0 112.735 174.274 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 85.2 mt -63.32 -43.89 96.5 Favored 'General case' 0 C--N 1.349 0.583 0 O-C-N 120.523 -1.361 . . . . 0.0 113.255 173.507 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.66 -41.74 97.96 Favored 'General case' 0 C--N 1.346 0.454 0 O-C-N 120.529 -1.357 . . . . 0.0 113.642 175.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.57 -45.71 91.7 Favored 'General case' 0 C--N 1.349 0.587 0 C-N-CA 124.451 1.1 . . . . 0.0 113.185 172.318 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -62.96 -38.45 91.12 Favored 'General case' 0 N--CA 1.45 -0.425 0 C-N-CA 125.761 1.624 . . . . 0.0 114.21 178.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -94.29 11.6 29.79 Favored 'General case' 0 C--N 1.348 0.503 0 O-C-N 120.808 -1.183 . . . . 0.0 113.158 -178.061 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 95.31 84.92 1.68 Allowed Glycine 0 C--N 1.35 1.309 0 O-C-N 120.493 -1.379 . . . . 0.0 115.206 164.498 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -82.32 -27.46 2.29 Favored 'Trans proline' 0 CA--C 1.511 -0.652 0 CA-C-N 121.23 2.515 . . . . 0.0 109.166 -168.405 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.5 tptt -64.45 -39.75 94.42 Favored 'General case' 0 C--N 1.35 0.595 0 O-C-N 121.325 -0.859 . . . . 0.0 112.221 173.161 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 57.7 tp -61.75 -42.01 98.42 Favored 'General case' 0 C--N 1.35 0.626 0 C-N-CA 124.771 1.229 . . . . 0.0 112.338 173.028 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -61.68 -44.65 96.55 Favored 'General case' 0 C--N 1.349 0.552 0 O-C-N 120.615 -1.303 . . . . 0.0 112.963 171.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 69.1 p -57.91 -38.34 75.68 Favored 'General case' 0 C--N 1.35 0.612 0 N-CA-C 117.666 2.469 . . . . 0.0 117.666 -168.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.14 -37.08 81.56 Favored 'General case' 0 C--N 1.352 0.7 0 N-CA-C 115.592 1.701 . . . . 0.0 115.592 -170.227 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.9 t -110.83 2.46 8.95 Favored 'Isoleucine or valine' 0 C--N 1.348 0.521 0 CA-C-O 122.32 1.057 . . . . 0.0 109.168 174.099 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.7 m 52.9 45.44 28.77 Favored 'General case' 0 C--N 1.356 0.865 0 C-N-CA 127.189 2.196 . . . . 0.0 111.673 -168.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.7 ttmt 168.17 93.36 0.0 OUTLIER 'General case' 0 C--N 1.35 0.627 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 -154.517 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -171.13 -49.74 0.02 OUTLIER 'General case' 0 C--N 1.354 0.795 0 O-C-N 119.781 -1.825 . . . . 0.0 113.029 178.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 13.2 t . . . . . 0 C--N 1.347 0.482 0 O-C-N 121.243 -0.911 . . . . 0.0 110.467 178.942 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 . . . . . 0 N--CA 1.442 -0.856 0 CA-C-O 121.906 0.86 . . . . 0.0 108.689 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.6 tt -146.65 -62.76 0.02 OUTLIER Pre-proline 0 N--CA 1.45 -0.442 0 CA-C-O 116.835 -1.555 . . . . 0.0 110.032 178.034 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -66.61 -32.3 38.9 Favored 'Trans proline' 0 C--N 1.347 0.449 0 CA-C-N 125.324 2.937 . . . . 0.0 113.422 -172.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 20.6 tt -63.64 -45.06 98.52 Favored 'Isoleucine or valine' 0 C--N 1.348 0.513 0 CA-C-N 119.622 1.101 . . . . 0.0 112.611 174.156 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 74.9 mt -65.15 -43.71 90.93 Favored 'General case' 0 C--N 1.35 0.589 0 C-N-CA 124.862 1.265 . . . . 0.0 112.041 176.513 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.83 -42.01 98.5 Favored 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 124.54 1.136 . . . . 0.0 113.071 174.281 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 30.7 t -60.3 -42.57 95.81 Favored 'General case' 0 C--N 1.351 0.657 0 O-C-N 121.002 -1.061 . . . . 0.0 112.683 174.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 72.3 mt -66.68 -48.82 68.12 Favored 'General case' 0 C--N 1.346 0.421 0 O-C-N 120.116 -1.615 . . . . 0.0 112.988 171.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.32 -44.08 95.98 Favored 'General case' 0 C--N 1.348 0.503 0 N-CA-C 114.926 1.454 . . . . 0.0 114.926 -176.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.28 -44.15 88.94 Favored 'General case' 0 N--CA 1.448 -0.556 0 O-C-N 120.989 -1.07 . . . . 0.0 113.163 175.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.7 ttmp? -64.81 -37.58 88.1 Favored 'General case' 0 C--N 1.347 0.464 0 C-N-CA 125.477 1.511 . . . . 0.0 114.084 -178.257 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -93.26 8.55 39.82 Favored 'General case' 0 C--N 1.346 0.449 0 O-C-N 121.066 -1.021 . . . . 0.0 112.632 -177.032 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 95.55 85.38 1.7 Allowed Glycine 0 C--N 1.35 1.357 0 O-C-N 120.693 -1.255 . . . . 0.0 114.501 166.655 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -75.31 -21.59 15.14 Favored 'Trans proline' 0 CA--C 1.514 -0.493 0 CA-C-N 121.762 2.781 . . . . 0.0 111.061 -164.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -62.04 -38.16 87.68 Favored 'General case' 0 C--N 1.349 0.546 0 C-N-CA 123.684 0.794 . . . . 0.0 112.569 172.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.6 mp -63.91 -39.86 95.16 Favored 'General case' 0 C--N 1.35 0.617 0 C-N-CA 125.409 1.484 . . . . 0.0 111.531 177.117 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -64.29 -50.57 67.36 Favored 'General case' 0 C--N 1.351 0.647 0 O-C-N 120.842 -1.161 . . . . 0.0 111.63 167.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.5 t -60.46 -39.18 86.67 Favored 'General case' 0 C--N 1.348 0.528 0 C-N-CA 125.899 1.68 . . . . 0.0 115.233 -172.32 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.1 pp -70.85 -16.09 62.68 Favored 'General case' 0 C--N 1.347 0.495 0 N-CA-C 114.97 1.47 . . . . 0.0 114.97 -171.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.4 t -114.53 1.14 8.5 Favored 'Isoleucine or valine' 0 C--N 1.352 0.704 0 CA-C-O 122.763 1.268 . . . . 0.0 108.504 169.185 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.428 7.7 t 37.26 58.73 1.21 Allowed 'General case' 0 C--N 1.353 0.748 0 C-N-CA 128.372 2.669 . . . . 0.0 113.544 -161.144 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 167.49 119.13 0.01 OUTLIER 'General case' 0 C--N 1.352 0.713 0 C-N-CA 126.334 1.854 . . . . 0.0 109.341 -162.36 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.64 168.14 22.13 Favored 'General case' 0 N--CA 1.448 -0.531 0 O-C-N 120.407 -1.433 . . . . 0.0 107.226 160.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.0 t . . . . . 0 C--N 1.35 0.624 0 C-N-CA 124.609 1.164 . . . . 0.0 112.292 -171.69 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 . . . . . 0 N--CA 1.444 -0.746 0 CA-C-O 121.567 0.699 . . . . 0.0 110.433 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.7 mp -60.2 143.96 88.03 Favored Pre-proline 0 N--CA 1.45 -0.441 0 C-N-CA 125.551 1.541 . . . . 0.0 113.588 -174.192 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -64.83 -31.0 58.19 Favored 'Trans proline' 0 N--CA 1.461 -0.418 0 C-N-CA 122.744 2.296 . . . . 0.0 113.037 -169.677 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 7.9 tp -63.56 -47.67 90.41 Favored 'Isoleucine or valine' 0 C--N 1.347 0.48 0 CA-C-N 119.319 0.963 . . . . 0.0 113.497 175.417 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.7 pp -71.01 -36.97 72.62 Favored 'General case' 0 C--N 1.353 0.719 0 O-C-N 120.002 -1.687 . . . . 0.0 112.013 177.222 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.5 -41.81 97.84 Favored 'General case' 0 C--N 1.351 0.672 0 O-C-N 121.104 -0.997 . . . . 0.0 113.018 173.204 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 42.0 t -59.54 -43.08 93.6 Favored 'General case' 0 C--N 1.351 0.668 0 C-N-CA 124.795 1.238 . . . . 0.0 112.728 174.022 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 83.5 mt -67.55 -48.09 67.97 Favored 'General case' 0 C--N 1.346 0.435 0 O-C-N 120.576 -1.328 . . . . 0.0 113.146 172.33 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.05 -43.64 98.05 Favored 'General case' 0 C--N 1.348 0.528 0 N-CA-C 114.756 1.391 . . . . 0.0 114.756 -176.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.93 -44.18 90.34 Favored 'General case' 0 C--N 1.349 0.553 0 O-C-N 120.986 -1.071 . . . . 0.0 113.045 175.041 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.7 ttpm? -65.98 -37.12 85.16 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 125.579 1.551 . . . . 0.0 114.562 -179.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -93.04 8.38 40.24 Favored 'General case' 0 C--N 1.347 0.477 0 O-C-N 120.77 -1.206 . . . . 0.0 112.727 -177.502 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 97.03 84.54 1.74 Allowed Glycine 0 C--N 1.35 1.315 0 O-C-N 120.698 -1.251 . . . . 0.0 114.297 167.243 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -76.67 -16.43 16.64 Favored 'Trans proline' 0 CA--C 1.514 -0.525 0 CA-C-N 121.827 2.813 . . . . 0.0 110.803 -165.343 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.9 mmtt -65.21 -32.28 73.88 Favored 'General case' 0 C--N 1.35 0.612 0 O-C-N 121.208 -0.932 . . . . 0.0 113.206 172.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 76.1 mt -62.25 -43.01 99.79 Favored 'General case' 0 C--N 1.352 0.694 0 C-N-CA 124.365 1.066 . . . . 0.0 112.276 174.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 38.0 t80 -63.71 -47.7 80.07 Favored 'General case' 0 C--N 1.353 0.729 0 O-C-N 121.224 -0.922 . . . . 0.0 111.537 169.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 31.2 t -58.93 -39.68 82.32 Favored 'General case' 0 C--N 1.35 0.599 0 C-N-CA 126.028 1.731 . . . . 0.0 114.825 -174.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.4 pp -61.83 -33.52 74.3 Favored 'General case' 0 C--N 1.348 0.529 0 N-CA-C 115.936 1.828 . . . . 0.0 115.936 -175.132 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.8 t -103.92 -0.21 10.12 Favored 'Isoleucine or valine' 0 C--N 1.354 0.778 0 CA-C-O 123.149 1.452 . . . . 0.0 109.43 171.365 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.431 5.7 t 42.36 53.52 4.51 Favored 'General case' 0 C--N 1.35 0.626 0 C-N-CA 128.445 2.698 . . . . 0.0 112.988 -164.581 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 164.49 109.26 0.0 OUTLIER 'General case' 0 C--N 1.354 0.792 0 C-N-CA 127.277 2.231 . . . . 0.0 109.372 -164.129 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 52.4 mttm -155.27 165.74 35.73 Favored 'General case' 0 C--N 1.347 0.482 0 N-CA-C 106.716 -1.586 . . . . 0.0 106.716 161.453 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 47.6 t . . . . . 0 CA--C 1.508 -0.653 0 N-CA-C 105.827 -1.916 . . . . 0.0 105.827 172.736 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 . . . . . 0 N--CA 1.445 -0.705 0 CA-C-O 121.668 0.747 . . . . 0.0 109.84 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 75.3 mt -114.75 70.93 2.41 Favored Pre-proline 0 C--O 1.235 0.336 0 C-N-CA 124.207 1.003 . . . . 0.0 111.079 -178.347 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -69.87 -35.72 11.81 Favored 'Trans proline' 0 CA--C 1.514 -0.511 0 C-N-CA 122.754 2.303 . . . . 0.0 114.001 -156.369 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.1 tt -64.86 -48.43 84.35 Favored 'Isoleucine or valine' 0 C--N 1.347 0.48 0 CA-C-N 119.815 1.189 . . . . 0.0 113.599 -178.25 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.1 pp -71.07 -34.63 71.37 Favored 'General case' 0 C--N 1.35 0.596 0 O-C-N 120.151 -1.593 . . . . 0.0 112.481 176.157 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.42 -41.2 96.79 Favored 'General case' 0 C--N 1.353 0.732 0 O-C-N 120.946 -1.096 . . . . 0.0 112.928 171.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 33.2 t -60.09 -42.82 95.45 Favored 'General case' 0 C--N 1.35 0.63 0 C-N-CA 124.436 1.095 . . . . 0.0 112.757 173.465 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.8 mp -66.33 -48.38 70.45 Favored 'General case' 0 C--N 1.347 0.495 0 O-C-N 119.986 -1.696 . . . . 0.0 112.74 171.687 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.68 -43.35 99.02 Favored 'General case' 0 C--N 1.346 0.426 0 N-CA-C 114.624 1.342 . . . . 0.0 114.624 -176.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.3 -43.31 95.14 Favored 'General case' 0 C--N 1.348 0.523 0 O-C-N 120.976 -1.077 . . . . 0.0 113.218 174.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.8 ttmp? -65.52 -37.49 86.9 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 125.615 1.566 . . . . 0.0 114.216 -179.1 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -93.99 8.56 40.96 Favored 'General case' 0 C--N 1.348 0.502 0 O-C-N 120.973 -1.08 . . . . 0.0 112.936 -176.184 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 98.72 81.62 1.61 Allowed Glycine 0 C--N 1.351 1.378 0 O-C-N 120.591 -1.318 . . . . 0.0 115.031 165.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -79.88 -22.18 7.72 Favored 'Trans proline' 0 CA--C 1.513 -0.572 0 CA-C-N 121.574 2.687 . . . . 0.0 110.284 -165.424 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -65.29 -37.03 85.9 Favored 'General case' 0 C--N 1.347 0.47 0 C-N-CA 124.096 0.959 . . . . 0.0 113.119 173.35 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.5 mp -62.89 -35.69 80.88 Favored 'General case' 0 C--N 1.349 0.587 0 C-N-CA 125.055 1.342 . . . . 0.0 111.109 175.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -69.3 -53.0 21.92 Favored 'General case' 0 C--N 1.35 0.612 0 O-C-N 120.941 -1.099 . . . . 0.0 112.773 166.22 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 53.3 p -61.24 -36.35 79.72 Favored 'General case' 0 C--N 1.353 0.738 0 N-CA-C 115.808 1.781 . . . . 0.0 115.808 -166.483 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.8 pp -57.3 -37.42 72.42 Favored 'General case' 0 C--N 1.35 0.608 0 N-CA-C 115.475 1.657 . . . . 0.0 115.475 -173.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.1 p -112.74 -5.98 11.63 Favored 'Isoleucine or valine' 0 C--N 1.349 0.584 0 O-C-N 120.741 -1.225 . . . . 0.0 110.544 173.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.478 2.1 t 54.37 45.15 27.77 Favored 'General case' 0 C--N 1.348 0.529 0 C-N-CA 128.93 2.892 . . . . 0.0 114.912 -170.187 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.1 mptt -158.09 155.17 28.74 Favored 'General case' 0 C--N 1.355 0.834 0 O-C-N 120.512 -1.367 . . . . 0.0 108.457 172.231 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.95 169.84 22.5 Favored 'General case' 0 C--N 1.346 0.452 0 N-CA-C 104.333 -2.469 . . . . 0.0 104.333 163.292 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 47.4 t . . . . . 0 CA--C 1.507 -0.679 0 N-CA-C 105.728 -1.953 . . . . 0.0 105.728 172.238 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 . . . . . 0 N--CA 1.444 -0.753 0 CA-C-O 121.1 0.476 . . . . 0.0 109.924 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 64.1 mt 52.13 55.33 14.96 Favored Pre-proline 0 C--N 1.348 0.535 0 C-N-CA 126.319 1.848 . . . . 0.0 114.947 -178.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -66.05 -35.93 31.95 Favored 'Trans proline' 0 CA--C 1.513 -0.564 0 C-N-CA 122.803 2.336 . . . . 0.0 114.561 -150.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.3 tt -64.71 -48.22 85.5 Favored 'Isoleucine or valine' 0 C--N 1.348 0.503 0 CA-C-N 119.972 1.26 . . . . 0.0 113.861 -179.555 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.0 pp -71.95 -37.44 69.97 Favored 'General case' 0 C--N 1.351 0.653 0 O-C-N 120.217 -1.552 . . . . 0.0 112.049 176.054 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.3 -45.5 92.99 Favored 'General case' 0 C--N 1.351 0.66 0 O-C-N 121.154 -0.966 . . . . 0.0 113.256 175.598 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 23.2 t -63.82 -44.74 92.33 Favored 'General case' 0 C--N 1.35 0.589 0 O-C-N 120.954 -1.091 . . . . 0.0 112.41 174.135 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 35.9 tp -60.07 -45.23 93.59 Favored 'General case' 0 C--N 1.351 0.657 0 O-C-N 120.667 -1.27 . . . . 0.0 112.532 178.066 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.63 -46.87 80.7 Favored 'General case' 0 N--CA 1.445 -0.707 0 C-N-CA 125.179 1.392 . . . . 0.0 113.667 172.556 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.84 -42.23 88.82 Favored 'General case' 0 C--N 1.353 0.735 0 C-N-CA 125.649 1.58 . . . . 0.0 113.12 -178.176 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.53 -45.75 90.86 Favored 'General case' 0 N--CA 1.445 -0.678 0 C-N-CA 127.123 2.169 . . . . 0.0 113.465 171.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -67.58 -45.17 76.31 Favored 'General case' 0 C--N 1.357 0.902 0 O-C-N 120.439 -1.413 . . . . 0.0 112.316 173.174 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 121.53 97.92 1.52 Allowed Glycine 0 C--N 1.344 0.989 0 N-CA-C 115.886 1.114 . . . . 0.0 115.886 172.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_endo -92.43 13.98 1.78 Allowed 'Trans proline' 0 N--CA 1.454 -0.85 0 C-N-CA 122.14 1.893 . . . . 0.0 108.22 173.43 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.5 mptt -58.89 -42.44 89.51 Favored 'General case' 0 C--N 1.35 0.588 0 C-N-CA 125.563 1.545 . . . . 0.0 112.144 -176.015 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.9 mp -64.42 -42.8 95.83 Favored 'General case' 0 C--N 1.351 0.632 0 C-N-CA 124.544 1.137 . . . . 0.0 112.219 171.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -63.69 -40.62 97.26 Favored 'General case' 0 C--N 1.348 0.533 0 C-N-CA 125.249 1.419 . . . . 0.0 112.872 179.732 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.5 p -64.87 -43.61 92.4 Favored 'General case' 0 C--N 1.349 0.562 0 N-CA-C 114.542 1.312 . . . . 0.0 114.542 172.015 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.5 pp -74.02 -22.86 59.42 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 120.258 1.39 . . . . 0.0 113.893 -178.293 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.7 p -93.27 7.61 5.64 Favored 'Isoleucine or valine' 0 C--N 1.351 0.654 0 O-C-N 120.461 -1.399 . . . . 0.0 110.003 171.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.381 9.1 t 44.89 52.34 8.14 Favored 'General case' 0 C--N 1.352 0.709 0 C-N-CA 128.24 2.616 . . . . 0.0 114.464 179.514 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.7 mtmm 77.7 -15.65 0.73 Allowed 'General case' 0 C--N 1.349 0.572 0 C-N-CA 127.181 2.192 . . . . 0.0 114.415 176.211 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.4 tmtt? -66.31 -41.61 89.46 Favored 'General case' 0 C--N 1.351 0.647 0 N-CA-C 115.027 1.491 . . . . 0.0 115.027 -171.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.7 t . . . . . 0 C--O 1.241 0.617 0 N-CA-C 115.898 1.814 . . . . 0.0 115.898 175.212 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 . . . . . 0 N--CA 1.441 -0.89 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 8.2 tt -58.82 -46.26 99.56 Favored Pre-proline 0 C--N 1.345 0.411 0 CA-C-O 116.806 -1.568 . . . . 0.0 115.071 178.504 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -70.62 -34.18 12.14 Favored 'Trans proline' 0 N--CA 1.459 -0.514 0 CA-C-N 125.522 3.008 . . . . 0.0 112.71 -177.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 7.9 tp -67.59 -45.57 84.78 Favored 'Isoleucine or valine' 0 C--N 1.351 0.634 0 CA-C-N 120.304 1.411 . . . . 0.0 112.683 177.514 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.9 pp -65.32 -39.16 92.11 Favored 'General case' 0 C--N 1.354 0.786 0 O-C-N 120.022 -1.674 . . . . 0.0 112.952 174.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.51 -41.55 98.91 Favored 'General case' 0 C--N 1.353 0.722 0 O-C-N 120.695 -1.253 . . . . 0.0 113.397 173.271 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 34.3 t -59.62 -44.77 93.32 Favored 'General case' 0 C--N 1.349 0.578 0 C-N-CA 124.949 1.299 . . . . 0.0 112.471 175.453 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 85.4 mt -65.94 -47.19 75.47 Favored 'General case' 0 C--N 1.347 0.46 0 O-C-N 121.258 -0.901 . . . . 0.0 113.089 172.335 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.18 -40.74 95.06 Favored 'General case' 0 C--N 1.349 0.57 0 O-C-N 120.607 -1.308 . . . . 0.0 114.098 -179.262 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.2 -44.37 97.4 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 124.281 1.032 . . . . 0.0 113.397 173.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 31.4 mtmm -66.77 -36.33 82.16 Favored 'General case' 0 C--N 1.349 0.555 0 N-CA-C 113.909 1.077 . . . . 0.0 113.909 174.492 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -91.0 11.51 22.67 Favored 'General case' 0 C--N 1.346 0.42 0 O-C-N 120.269 -1.519 . . . . 0.0 113.182 -175.23 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 96.58 86.29 1.78 Allowed Glycine 0 C--N 1.351 1.37 0 C-N-CA 124.545 1.069 . . . . 0.0 114.844 164.51 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -80.67 -42.58 0.13 Allowed 'Trans proline' 0 N--CA 1.459 -0.519 0 CA-C-N 121.733 2.766 . . . . 0.0 111.943 -165.431 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 49.4 tptt -76.18 -19.64 58.24 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-N 120.218 1.372 . . . . 0.0 112.034 177.571 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 87.3 mt -64.4 -36.41 84.06 Favored 'General case' 0 N--CA 1.45 -0.443 0 O-C-N 120.555 -1.341 . . . . 0.0 111.955 167.417 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -69.95 -47.39 62.52 Favored 'General case' 0 C--N 1.352 0.677 0 O-C-N 120.241 -1.537 . . . . 0.0 112.633 166.176 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 82.7 p -92.11 16.98 10.17 Favored 'General case' 0 C--N 1.349 0.557 0 O-C-N 120.071 -1.643 . . . . 0.0 114.673 -167.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.275 3.5 pp -70.09 -45.22 67.41 Favored 'General case' 0 C--N 1.347 0.499 0 O-C-N 119.498 -2.001 . . . . 0.0 113.37 162.113 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 15.7 m -119.13 9.02 6.71 Favored 'Isoleucine or valine' 0 C--N 1.354 0.763 0 O-C-N 121.042 -1.036 . . . . 0.0 110.99 172.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.467 4.1 t 53.3 59.82 4.14 Favored 'General case' 0 C--N 1.35 0.594 0 C-N-CA 126.868 2.067 . . . . 0.0 113.618 -173.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.0 mtmm 171.02 124.24 0.02 OUTLIER 'General case' 0 C--N 1.352 0.695 0 C-N-CA 127.758 2.423 . . . . 0.0 107.881 -171.536 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.4 pttp -161.45 170.51 19.86 Favored 'General case' 0 C--N 1.347 0.496 0 O-C-N 121.093 -1.004 . . . . 0.0 108.419 158.313 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 57.4 m . . . . . 0 C--N 1.352 0.682 0 N-CA-C 114.301 1.223 . . . . 0.0 114.301 168.417 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 53.5 p90 . . . . . 0 N--CA 1.437 -1.083 0 CA-C-O 121.36 0.6 . . . . 0.0 109.899 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.9 mp -119.63 145.24 38.7 Favored Pre-proline 0 C--N 1.348 0.521 0 N-CA-C 107.066 -1.457 . . . . 0.0 107.066 176.212 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -65.16 -31.69 53.74 Favored 'Trans proline' 0 N--CA 1.462 -0.357 0 C-N-CA 122.892 2.395 . . . . 0.0 113.004 -172.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 20.9 tt -63.31 -47.44 92.02 Favored 'Isoleucine or valine' 0 C--N 1.348 0.542 0 CA-C-N 119.487 1.04 . . . . 0.0 113.738 177.064 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.4 pp -69.6 -35.87 75.7 Favored 'General case' 0 C--N 1.353 0.728 0 O-C-N 120.164 -1.585 . . . . 0.0 112.416 176.229 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.46 -42.09 99.23 Favored 'General case' 0 C--N 1.351 0.643 0 O-C-N 120.885 -1.135 . . . . 0.0 113.095 172.141 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 28.5 t -60.45 -41.96 95.18 Favored 'General case' 0 C--N 1.35 0.629 0 C-N-CA 124.566 1.147 . . . . 0.0 112.643 173.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 82.8 mt -65.93 -49.95 66.13 Favored 'General case' 0 C--N 1.347 0.466 0 O-C-N 120.169 -1.582 . . . . 0.0 113.341 171.15 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.29 -44.37 95.25 Favored 'General case' 0 C--N 1.347 0.477 0 N-CA-C 114.618 1.34 . . . . 0.0 114.618 -176.26 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.02 -43.38 95.78 Favored 'General case' 0 C--N 1.349 0.56 0 O-C-N 121.032 -1.042 . . . . 0.0 113.179 176.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.7 ttmp? -65.94 -38.5 88.78 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 125.64 1.576 . . . . 0.0 114.346 -178.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -77.15 -14.8 59.73 Favored 'General case' 0 C--N 1.349 0.562 0 O-C-N 121.294 -0.878 . . . . 0.0 112.996 177.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 100.99 85.05 1.84 Allowed Glycine 0 C--N 1.35 1.348 0 O-C-N 120.778 -1.201 . . . . 0.0 113.896 170.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -92.12 12.03 2.19 Favored 'Trans proline' 0 CA--C 1.515 -0.47 0 CA-C-N 121.863 2.831 . . . . 0.0 109.81 -160.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 47.7 mtpt -59.76 -44.26 93.94 Favored 'General case' 0 C--N 1.349 0.553 0 N-CA-C 114.158 1.169 . . . . 0.0 114.158 -171.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.4 tt -61.81 -45.74 92.51 Favored 'General case' 0 C--N 1.35 0.611 0 CA-C-O 122.003 0.906 . . . . 0.0 111.973 179.252 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -63.04 -39.51 94.97 Favored 'General case' 0 C--N 1.348 0.527 0 O-C-N 120.928 -1.108 . . . . 0.0 112.563 176.579 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 51.9 p -64.73 -45.79 85.03 Favored 'General case' 0 C--N 1.351 0.647 0 N-CA-C 115.083 1.512 . . . . 0.0 115.083 173.506 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.2 pp -76.24 -23.67 54.55 Favored 'General case' 0 C--N 1.356 0.887 0 O-C-N 120.585 -1.322 . . . . 0.0 113.429 -175.369 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.8 p -90.78 1.75 7.98 Favored 'Isoleucine or valine' 0 C--N 1.35 0.598 0 CA-C-O 123.138 1.447 . . . . 0.0 109.255 173.239 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.408 10.8 t 47.36 57.09 6.15 Favored 'General case' 0 C--N 1.352 0.717 0 C-N-CA 129.448 3.099 . . . . 0.0 113.723 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.7 mtmp? 72.12 106.67 0.07 Allowed 'General case' 0 C--N 1.349 0.575 0 C-N-CA 126.233 1.813 . . . . 0.0 111.477 179.524 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.3 mtmm 160.24 161.5 0.01 OUTLIER 'General case' 0 C--N 1.347 0.491 0 C-N-CA 129.297 3.039 . . . . 0.0 103.229 -173.452 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 26.8 p . . . . . 0 C--N 1.349 0.561 0 C-N-CA 125.367 1.467 . . . . 0.0 112.878 -173.225 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 10.3 t80 . . . . . 0 N--CA 1.44 -0.932 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 78.0 mt -60.68 145.06 88.54 Favored Pre-proline 0 C--N 1.348 0.537 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 -178.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -64.88 -31.57 56.68 Favored 'Trans proline' 0 CA--C 1.515 -0.439 0 C-N-CA 122.982 2.455 . . . . 0.0 113.271 -169.228 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.2 tt -63.04 -43.58 99.11 Favored 'Isoleucine or valine' 0 C--N 1.347 0.467 0 CA-C-N 119.284 0.947 . . . . 0.0 112.937 173.376 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 78.3 mt -66.81 -42.53 85.74 Favored 'General case' 0 C--N 1.349 0.566 0 C-N-CA 124.892 1.277 . . . . 0.0 111.888 175.558 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.2 -43.11 99.57 Favored 'General case' 0 N--CA 1.447 -0.622 0 C-N-CA 124.142 0.977 . . . . 0.0 113.289 174.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 19.9 t -61.78 -44.54 96.68 Favored 'General case' 0 C--N 1.349 0.577 0 C-N-CA 124.625 1.17 . . . . 0.0 112.663 173.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.0 tt -62.02 -45.2 94.66 Favored 'General case' 0 C--N 1.35 0.598 0 O-C-N 120.786 -1.196 . . . . 0.0 112.667 174.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.64 -41.83 99.25 Favored 'General case' 0 C--N 1.348 0.527 0 O-C-N 120.63 -1.294 . . . . 0.0 113.572 174.48 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.59 -41.9 98.09 Favored 'General case' 0 C--N 1.349 0.577 0 C-N-CA 124.955 1.302 . . . . 0.0 113.408 174.205 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.9 tptt -58.8 -40.46 84.13 Favored 'General case' 0 C--N 1.347 0.49 0 C-N-CA 126.177 1.791 . . . . 0.0 114.633 -176.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -98.72 5.29 47.71 Favored 'General case' 0 C--N 1.346 0.455 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 -174.087 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 98.34 79.96 1.5 Allowed Glycine 0 C--N 1.35 1.328 0 O-C-N 120.6 -1.313 . . . . 0.0 114.553 170.148 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -78.44 -7.5 15.92 Favored 'Trans proline' 0 CA--C 1.515 -0.458 0 CA-C-N 121.063 2.432 . . . . 0.0 111.191 -166.007 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.7 tmtm? -62.61 -39.69 94.59 Favored 'General case' 0 N--CA 1.447 -0.589 0 O-C-N 121.149 -0.969 . . . . 0.0 112.607 178.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.0 mp -60.21 -44.11 95.42 Favored 'General case' 0 C--N 1.349 0.558 0 C-N-CA 124.401 1.08 . . . . 0.0 111.749 176.195 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -62.91 -41.05 99.32 Favored 'General case' 0 C--N 1.347 0.481 0 C-N-CA 124.527 1.131 . . . . 0.0 112.667 174.314 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 39.9 p -63.58 -44.57 93.67 Favored 'General case' 0 C--N 1.353 0.738 0 N-CA-C 115.221 1.563 . . . . 0.0 115.221 174.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.0 pp -71.56 -35.08 70.48 Favored 'General case' 0 C--N 1.354 0.783 0 O-C-N 120.692 -1.255 . . . . 0.0 113.409 -177.126 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.3 p -76.32 -17.69 15.12 Favored 'Isoleucine or valine' 0 C--N 1.351 0.664 0 O-C-N 120.294 -1.504 . . . . 0.0 111.314 173.002 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . 0.476 6.6 t 59.56 52.69 5.52 Favored 'General case' 0 C--N 1.353 0.748 0 C-N-CA 130.572 3.549 . . . . 0.0 114.611 -177.559 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.17 59.2 3.16 Favored 'General case' 0 C--N 1.36 1.053 0 CA-C-O 123.01 1.386 . . . . 0.0 111.303 173.25 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -159.77 154.9 24.98 Favored 'General case' 0 N--CA 1.445 -0.683 0 N-CA-C 106.143 -1.799 . . . . 0.0 106.143 -161.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 45.4 m . . . . . 0 C--N 1.348 0.53 0 C-N-CA 124.721 1.208 . . . . 0.0 112.747 -174.926 . . . . . . . . 0 0 . 1 stop_ save_