data_6qb0_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 6qb0 _Structure_validation_residue.Date_analyzed 2019-02-22 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 full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.837 0.351 . . . . 73.33 110.918 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -148.91 -71.0 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.743 -0.742 . . . . 75.2 112.472 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 61.76 69.79 0.62 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.777 0.322 . . . . 71.21 110.906 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -174.16 64.84 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 73.52 110.912 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.7 -34.38 26.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 73.23 110.948 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 63.84 74.01 0.43 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 73.11 111.047 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.506 ' N ' ' HD2' ' A' ' 8' ' ' PRO . 0.2 OUTLIER -67.31 -58.97 7.92 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.649 0.738 . . . . 72.22 110.855 -179.919 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.506 ' HD2' ' N ' ' A' ' 7' ' ' PHE . 53.0 Cg_endo -69.8 167.79 23.46 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.648 2.232 . . . . 74.01 112.349 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 110.25 2.52 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.661 2.24 . . . . 74.04 112.316 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -179.56 89.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 72.35 110.925 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -157.99 72.13 4.1 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.583 0.706 . . . . 71.31 110.929 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 116.83 4.74 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.676 2.25 . . . . 71.04 112.362 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 75.4 110.91 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.7 tt . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.791 0.329 . . . . 75.34 110.94 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 173.39 -53.32 0.16 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.75 -0.738 . . . . 64.14 112.483 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 61.83 69.76 0.62 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.791 0.329 . . . . 72.31 110.96 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -174.14 69.21 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 73.51 110.903 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.77 -46.85 59.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 74.54 110.869 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 62.41 73.32 0.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 74.41 111.077 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.446 ' HB2' ' HD2' ' A' ' 8' ' ' PRO . 2.9 p90 -51.71 159.43 1.3 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.659 0.743 . . . . 75.13 110.875 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.446 ' HD2' ' HB2' ' A' ' 7' ' ' PHE . 53.7 Cg_endo -69.74 167.72 23.6 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.65 2.233 . . . . 75.15 112.344 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 160.58 49.19 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.685 2.257 . . . . 73.23 112.348 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 51.92 78.59 0.12 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 74.13 110.911 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -173.69 70.38 0.35 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.613 0.72 . . . . 75.03 110.919 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 139.92 41.66 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.704 2.269 . . . . 75.31 112.349 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 18.3 t80 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 74.33 110.921 -179.916 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.526 0.03 0 CA-C-O 120.862 0.363 . . . . 74.41 110.885 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -163.54 35.76 0.31 Allowed Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.672 -0.775 . . . . 74.31 112.433 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 61.83 69.82 0.62 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.744 0.307 . . . . 73.45 110.906 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 42.9 tp60 -174.23 83.61 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 74.24 110.897 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 179.66 34.55 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 71.22 110.888 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 62.4 73.39 0.47 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.239 -0.437 . . . . 74.2 111.124 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.429 ' HB2' ' HD2' ' A' ' 8' ' ' PRO . 1.5 p90 -51.73 156.9 2.14 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.664 0.745 . . . . 73.0 110.853 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.429 ' HD2' ' HB2' ' A' ' 7' ' ' PHE . 53.8 Cg_endo -69.8 167.71 23.72 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.73 2.287 . . . . 73.14 112.333 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 98.27 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.669 2.246 . . . . 64.34 112.381 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 51.95 78.61 0.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 73.33 110.889 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -169.48 71.04 0.68 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.628 0.728 . . . . 73.42 110.945 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 132.91 24.4 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.686 2.258 . . . . 75.42 112.35 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.2 t80 . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.251 -0.432 . . . . 74.45 110.871 -179.887 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 6.5 mp . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.826 0.346 . . . . 74.33 110.924 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 176.3 -80.39 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.743 -0.741 . . . . 61.13 112.48 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 61.85 69.72 0.62 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.757 0.313 . . . . 75.34 110.931 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 58.26 79.37 0.21 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 75.12 110.902 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -50.61 -31.59 16.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 64.41 110.965 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 63.79 73.96 0.43 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 74.51 111.07 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.441 ' HB2' ' HD2' ' A' ' 8' ' ' PRO . 1.6 p90 -51.79 156.83 2.22 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.676 0.751 . . . . 75.44 110.909 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.441 ' HD2' ' HB2' ' A' ' 7' ' ' PHE . 54.0 Cg_endo -69.7 167.75 23.46 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.681 2.254 . . . . 64.42 112.351 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 129.12 17.01 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.656 2.237 . . . . 63.54 112.35 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -179.49 89.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 75.21 110.907 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 59.59 69.06 1.36 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.605 0.717 . . . . 75.33 110.9 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 116.75 4.71 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.712 2.274 . . . . 74.33 112.33 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.221 -0.445 . . . . 73.33 110.955 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.886 0.374 . . . . 73.53 110.945 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -98.64 -35.42 4.91 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.818 -0.706 . . . . 64.43 112.523 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 61.82 69.78 0.62 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.737 0.303 . . . . 72.5 110.917 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -174.18 69.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 72.31 110.883 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 51.54 48.17 23.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 62.04 110.915 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 63.8 73.99 0.43 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 73.41 111.108 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.446 ' HB2' ' HD2' ' A' ' 8' ' ' PRO . 1.6 p90 -51.71 156.89 2.13 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.66 0.743 . . . . 74.32 110.914 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.446 ' HD2' ' HB2' ' A' ' 7' ' ' PHE . 53.1 Cg_endo -69.81 167.75 23.62 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.616 2.211 . . . . 75.14 112.37 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 159.01 55.04 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.656 2.238 . . . . 72.34 112.351 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -179.53 89.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 71.34 110.939 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -165.86 73.04 1.29 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.566 0.698 . . . . 74.31 110.904 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 86.85 0.58 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.653 2.235 . . . . 73.12 112.348 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 9.9 t80 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 74.01 110.895 -179.887 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 5.9 mp . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.874 0.369 . . . . 75.32 110.914 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -167.76 82.43 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.751 -0.738 . . . . 65.13 112.451 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 61.86 69.71 0.62 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.772 0.32 . . . . 74.55 110.919 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -174.17 74.27 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 72.3 110.896 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.71 -53.84 28.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 73.31 110.903 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 63.81 73.95 0.43 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 55.14 111.13 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.438 ' HB2' ' HD2' ' A' ' 8' ' ' PRO . 1.5 p90 -51.77 156.87 2.18 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.687 0.756 . . . . 75.34 110.856 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.438 ' HD2' ' HB2' ' A' ' 7' ' ' PHE . 54.1 Cg_endo -69.73 167.76 23.48 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.673 2.249 . . . . 73.32 112.371 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 148.81 65.66 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.664 2.242 . . . . 74.41 112.335 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -179.52 89.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 74.0 110.932 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -136.4 73.73 55.73 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.605 0.716 . . . . 65.33 110.876 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 139.45 39.98 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.642 2.228 . . . . 71.45 112.337 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.4 t80 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 74.3 110.878 -179.856 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 8.4 mp . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.849 0.357 . . . . 72.02 110.915 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -65.66 -86.54 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.744 -0.741 . . . . 43.32 112.451 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 61.82 69.8 0.62 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.753 0.311 . . . . 73.01 110.901 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -174.18 76.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 62.23 110.918 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.65 -61.27 2.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 65.54 110.933 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 63.86 73.94 0.43 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 55.44 111.105 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.447 ' HB2' ' HD2' ' A' ' 8' ' ' PRO . 1.5 p90 -51.77 156.85 2.19 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.689 0.757 . . . . 72.14 110.873 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.447 ' HD2' ' HB2' ' A' ' 7' ' ' PHE . 53.4 Cg_endo -69.71 167.72 23.56 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.709 2.272 . . . . 74.34 112.32 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 153.93 68.36 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.637 2.225 . . . . 72.45 112.396 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -179.5 89.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 73.25 110.929 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -67.91 160.6 73.04 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.571 0.7 . . . . 73.15 110.925 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 120.68 7.41 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.683 2.255 . . . . 71.35 112.335 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 59.1 t80 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 72.23 110.929 -179.888 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 4.5 mp . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.839 0.352 . . . . 74.53 110.908 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -163.29 83.38 0.11 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.747 -0.739 . . . . 62.23 112.486 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 61.84 69.75 0.62 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.748 0.309 . . . . 74.12 110.893 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -174.16 75.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 75.54 110.933 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -50.67 -31.61 16.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 74.05 110.871 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 63.8 74.05 0.43 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 73.11 111.103 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.447 ' HB2' ' HD2' ' A' ' 8' ' ' PRO . 1.5 p90 -51.79 156.89 2.19 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.63 0.729 . . . . 72.35 110.895 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.447 ' HD2' ' HB2' ' A' ' 7' ' ' PHE . 54.1 Cg_endo -69.81 167.74 23.65 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.677 2.251 . . . . 61.43 112.372 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 147.8 63.62 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.694 2.262 . . . . 65.11 112.312 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -179.51 89.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 75.23 110.909 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -157.64 72.95 4.28 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.614 0.721 . . . . 72.23 110.931 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 98.06 0.66 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.721 2.28 . . . . 75.13 112.345 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 77.4 t80 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.439 . . . . 74.13 110.911 -179.895 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.826 0.346 . . . . 75.53 110.923 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 78.77 46.68 8.37 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.798 -0.715 . . . . 64.23 112.457 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 61.81 69.79 0.62 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.741 0.305 . . . . 72.31 110.887 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -174.2 83.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 74.24 110.867 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 179.43 -39.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 63.45 110.88 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 63.81 73.99 0.43 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 74.23 111.089 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.432 ' HB2' ' HD2' ' A' ' 8' ' ' PRO . 1.7 p90 -51.73 156.85 2.16 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.646 0.736 . . . . 74.31 110.885 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.432 ' HD2' ' HB2' ' A' ' 7' ' ' PHE . 54.0 Cg_endo -69.8 167.75 23.59 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.651 2.234 . . . . 71.21 112.336 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 136.22 32.35 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.669 2.246 . . . . 75.42 112.346 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -179.46 89.56 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 74.43 110.877 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -159.62 68.38 3.06 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.592 0.71 . . . . 74.51 110.954 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 135.81 31.44 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.678 2.252 . . . . 74.33 112.329 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 116.257 -0.429 . . . . 65.21 110.899 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.857 0.36 . . . . 73.41 110.944 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -82.79 -51.3 4.31 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.779 -0.724 . . . . 62.2 112.451 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 61.8 69.75 0.62 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.793 0.33 . . . . 73.14 110.923 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -174.13 64.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 74.41 110.922 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -51.03 -36.51 40.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 74.33 110.894 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 62.43 73.41 0.47 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 72.1 111.09 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.434 ' HB2' ' HD2' ' A' ' 8' ' ' PRO . 1.6 p90 -51.83 156.89 2.22 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.639 0.733 . . . . 73.22 110.892 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.434 ' HD2' ' HB2' ' A' ' 7' ' ' PHE . 53.6 Cg_endo -69.78 167.76 23.53 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.663 2.242 . . . . 75.21 112.317 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 160.53 49.35 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.694 2.262 . . . . 75.15 112.344 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -179.48 89.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 74.54 110.909 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -137.28 73.68 49.99 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.605 0.717 . . . . 72.24 110.905 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 165.96 29.32 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.65 2.233 . . . . 73.13 112.336 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 9.5 t80 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 74.32 110.958 -179.909 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.6 mp . . . . . 0 CA--C 1.526 0.046 0 CA-C-O 120.844 0.354 . . . . 75.42 110.903 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -152.09 48.08 0.55 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.684 -0.769 . . . . 71.4 112.468 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 61.76 69.81 0.62 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.804 0.335 . . . . 74.02 110.956 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -174.17 72.13 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 73.21 110.942 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 179.46 -36.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 74.21 110.913 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 63.83 73.99 0.43 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 75.42 111.109 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.445 ' HB2' ' HD2' ' A' ' 8' ' ' PRO . 1.6 p90 -51.75 156.83 2.19 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.671 0.748 . . . . 75.24 110.874 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.445 ' HD2' ' HB2' ' A' ' 7' ' ' PHE . 53.5 Cg_endo -69.76 167.75 23.55 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.673 2.249 . . . . 54.24 112.338 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 121.28 7.97 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.691 2.261 . . . . 73.5 112.365 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -179.53 89.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 74.43 110.887 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -113.54 157.7 40.69 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.572 0.701 . . . . 75.42 110.92 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 141.44 45.38 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.674 2.25 . . . . 65.11 112.351 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.7 t80 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 73.34 110.902 -179.902 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.864 0.364 . . . . 72.2 110.927 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 88.62 38.79 6.9 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.764 -0.732 . . . . 73.42 112.513 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 61.86 69.83 0.62 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.761 0.315 . . . . 74.0 110.856 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -174.19 67.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 74.41 110.931 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -51.09 -30.42 15.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 71.55 110.931 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 63.73 74.13 0.42 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 71.53 111.099 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.454 ' HB2' ' HD2' ' A' ' 8' ' ' PRO . 1.6 p90 -51.79 156.85 2.21 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.669 0.747 . . . . 74.14 110.858 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.454 ' HD2' ' HB2' ' A' ' 7' ' ' PHE . 53.5 Cg_endo -69.77 167.73 23.6 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.66 2.24 . . . . 70.11 112.379 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 109.89 2.42 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.676 2.251 . . . . 75.32 112.32 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -144.04 72.14 1.34 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 71.3 110.904 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -139.91 73.64 33.05 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.581 0.705 . . . . 74.02 110.895 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 121.24 7.93 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.685 2.256 . . . . 73.2 112.356 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 9.2 t80 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 75.21 110.921 -179.914 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.047 0 CA-C-O 120.807 0.337 . . . . 64.3 110.934 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 141.77 103.83 0.51 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.682 -0.77 . . . . 61.03 112.457 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 61.88 69.73 0.62 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.77 0.319 . . . . 74.33 110.898 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -174.11 65.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 74.42 110.893 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 51.54 55.22 9.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 74.52 110.933 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 178.78 77.69 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 64.23 111.094 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.453 ' HB2' ' HD2' ' A' ' 8' ' ' PRO . 2.0 p90 -51.74 156.89 2.15 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.665 0.745 . . . . 73.32 110.866 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.453 ' HD2' ' HB2' ' A' ' 7' ' ' PHE . 53.3 Cg_endo -69.8 167.79 23.48 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.679 2.252 . . . . 74.43 112.326 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 133.57 25.84 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.648 2.232 . . . . 74.12 112.349 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -179.52 89.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 71.34 110.889 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.67 160.56 82.27 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.575 0.703 . . . . 54.03 110.945 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 145.02 56.24 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.699 2.266 . . . . 72.34 112.354 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.1 t80 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.268 -0.423 . . . . 74.11 110.923 -179.937 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.889 0.376 . . . . 73.13 110.931 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 151.81 75.07 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.751 -0.738 . . . . 60.33 112.475 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 61.84 69.78 0.62 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.774 0.321 . . . . 74.33 110.934 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -174.18 72.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 73.13 110.925 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -50.72 -48.97 58.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 73.24 110.895 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 178.76 80.04 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 71.51 111.124 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.443 ' HB2' ' HD2' ' A' ' 8' ' ' PRO . 1.5 p90 -51.68 156.84 2.13 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.69 0.757 . . . . 75.03 110.857 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.443 ' HD2' ' HB2' ' A' ' 7' ' ' PHE . 54.4 Cg_endo -69.67 167.72 23.51 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.7 2.267 . . . . 75.42 112.364 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 136.49 33.06 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.68 2.253 . . . . 71.25 112.355 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -179.49 89.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 74.5 110.911 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -100.82 160.59 26.34 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.617 0.722 . . . . 74.2 110.865 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 156.47 63.4 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.691 2.26 . . . . 70.44 112.364 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 11.4 t80 . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.233 -0.439 . . . . 74.34 110.921 -179.919 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.845 0.355 . . . . 75.33 110.92 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 130.57 98.32 0.8 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.731 -0.747 . . . . 74.24 112.516 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 61.83 69.83 0.62 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.789 0.328 . . . . 72.54 110.925 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -174.21 84.76 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 73.01 110.916 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 179.47 -37.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 75.52 110.926 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 178.74 77.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 60.21 111.079 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.435 ' HB2' ' HD2' ' A' ' 8' ' ' PRO . 1.9 p90 -51.76 156.87 2.18 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.655 0.741 . . . . 75.42 110.864 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.435 ' HD2' ' HB2' ' A' ' 7' ' ' PHE . 53.6 Cg_endo -69.83 167.75 23.62 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.699 2.266 . . . . 74.35 112.322 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 124.12 10.77 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.697 2.265 . . . . 72.33 112.327 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -179.54 89.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 75.14 110.856 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -160.89 70.03 2.68 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.594 0.712 . . . . 72.11 110.947 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 156.0 64.51 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.614 2.209 . . . . 75.54 112.357 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 69.6 t80 . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.225 -0.443 . . . . 74.45 110.956 -179.926 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.881 0.372 . . . . 73.51 110.921 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 80.79 66.99 1.58 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.731 -0.747 . . . . 73.44 112.549 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 61.93 69.78 0.62 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.741 0.305 . . . . 73.5 110.909 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -88.65 49.55 1.81 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 74.13 110.913 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -50.7 -44.14 57.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 64.32 110.878 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 63.86 74.02 0.42 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.447 . . . . 73.23 111.067 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.448 ' HB2' ' HD2' ' A' ' 8' ' ' PRO . 2.9 p90 -51.65 159.46 1.27 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.666 0.745 . . . . 73.22 110.862 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.448 ' HD2' ' HB2' ' A' ' 7' ' ' PHE . 53.8 Cg_endo -69.82 167.72 23.69 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.69 2.26 . . . . 74.41 112.345 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 116.78 4.71 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.704 2.269 . . . . 74.24 112.307 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -179.55 89.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 73.4 110.942 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -70.52 160.61 80.86 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.557 0.694 . . . . 71.55 110.908 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 108.53 2.1 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.684 2.256 . . . . 73.02 112.311 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 62.1 t80 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 75.31 110.922 -179.944 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.7 mp . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.836 0.35 . . . . 74.11 110.914 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -172.68 74.63 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.757 -0.735 . . . . 74.04 112.498 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 61.81 69.8 0.62 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.727 0.299 . . . . 72.23 110.884 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 56.11 78.63 0.2 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 64.32 110.92 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -50.95 -38.55 51.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 72.43 110.902 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 63.82 73.99 0.43 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 73.24 111.094 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.448 ' HB2' ' HD2' ' A' ' 8' ' ' PRO . 1.5 p90 -51.69 156.84 2.13 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.651 0.738 . . . . 72.11 110.86 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.448 ' HD2' ' HB2' ' A' ' 7' ' ' PHE . 53.6 Cg_endo -69.77 167.74 23.59 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.685 2.257 . . . . 70.35 112.355 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 10' ' ' GLN . 53.4 Cg_endo -69.75 110.66 2.61 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.689 2.26 . . . . 74.53 112.315 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.413 ' C ' ' O ' ' A' ' 9' ' ' PRO . 12.9 pt20 37.13 66.3 0.44 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 75.41 110.947 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -147.7 160.59 38.01 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.593 0.711 . . . . 74.01 110.927 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 152.47 69.28 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.687 2.258 . . . . 70.23 112.36 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 57.3 t80 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 73.51 110.864 -179.902 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.858 0.361 . . . . 72.3 110.899 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 139.66 53.45 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.777 -0.725 . . . . 55.42 112.531 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 61.8 69.75 0.62 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.775 0.321 . . . . 72.4 110.968 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 7.7 tp60 -174.15 84.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 73.14 110.941 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? 179.1 93.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 74.33 110.904 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 178.74 78.86 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 75.13 111.123 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.446 ' HB2' ' HD2' ' A' ' 8' ' ' PRO . 1.8 p90 -51.76 156.84 2.19 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.665 0.745 . . . . 74.14 110.873 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.446 ' HD2' ' HB2' ' A' ' 7' ' ' PHE . 52.9 Cg_endo -69.76 167.72 23.62 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.72 2.28 . . . . 75.54 112.337 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 147.71 63.6 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.686 2.257 . . . . 71.35 112.323 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -179.48 88.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 75.22 110.892 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -51.61 156.84 2.07 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.559 0.695 . . . . 75.41 110.932 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 100.29 0.82 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.667 2.245 . . . . 73.31 112.359 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 15.2 t80 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 75.15 110.931 -179.903 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.926 0.393 . . . . 73.12 110.929 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -96.85 -38.66 4.33 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.761 -0.733 . . . . 75.13 112.5 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 61.86 69.76 0.62 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.733 0.302 . . . . 71.43 110.855 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -174.15 71.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 74.3 110.9 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 51.67 80.23 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 53.4 110.905 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 178.74 81.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 75.42 111.131 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.433 ' HB2' ' HD2' ' A' ' 8' ' ' PRO . 0.5 OUTLIER -149.26 158.33 38.54 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.617 0.722 . . . . 74.33 110.857 -179.861 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.433 ' HD2' ' HB2' ' A' ' 7' ' ' PHE . 53.7 Cg_endo -69.76 167.74 23.56 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.658 2.238 . . . . 72.43 112.359 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 115.52 4.13 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.699 2.266 . . . . 73.21 112.343 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -179.51 89.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 72.43 110.91 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -113.76 73.55 2.24 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.593 0.711 . . . . 73.13 110.931 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 101.54 0.93 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.677 2.252 . . . . 71.21 112.3 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.8 t80 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 75.45 110.926 -179.931 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.2 mp . . . . . 0 C--O 1.229 0.023 0 CA-C-O 120.898 0.38 . . . . 75.55 110.934 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 175.31 -45.79 0.13 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.7 -0.762 . . . . 73.13 112.475 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 61.76 69.79 0.62 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.78 0.324 . . . . 73.51 110.933 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -174.15 80.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 75.32 110.93 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 179.58 34.6 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 64.35 110.938 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 63.79 73.94 0.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 71.1 111.121 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.44 ' HB2' ' HD2' ' A' ' 8' ' ' PRO . 7.2 p90 -51.68 156.87 2.11 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.599 0.714 . . . . 74.12 110.895 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.44 ' HD2' ' HB2' ' A' ' 7' ' ' PHE . 53.7 Cg_endo -69.79 112.3 3.05 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.636 2.224 . . . . 62.24 112.336 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 109.57 2.34 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.722 2.281 . . . . 74.44 112.322 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.4 tm0? -179.52 89.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 74.12 110.883 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -113.53 157.69 40.7 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.598 0.713 . . . . 74.12 110.894 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 139.04 39.15 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.67 2.247 . . . . 61.54 112.34 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 40.7 t80 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 75.52 110.952 -179.907 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 4.5 mp . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.829 0.347 . . . . 65.12 110.906 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 168.31 -67.36 0.18 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.801 -0.714 . . . . 54.54 112.514 179.889 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 61.74 69.81 0.62 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.781 0.324 . . . . 71.04 110.935 -179.877 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -174.17 78.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 73.33 110.959 -179.949 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -50.67 -41.99 56.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 73.43 110.897 -179.899 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 63.77 74.05 0.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 74.25 111.111 179.955 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.456 ' HB2' ' HD2' ' A' ' 8' ' ' PRO . 2.9 p90 -51.79 156.9 2.19 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.66 0.743 . . . . 75.44 110.847 -179.929 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.456 ' HD2' ' HB2' ' A' ' 7' ' ' PHE . 53.9 Cg_endo -69.79 112.29 3.04 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.672 2.248 . . . . 72.42 112.336 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 135.05 29.4 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.692 2.262 . . . . 74.22 112.337 179.956 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -144.07 72.74 1.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 72.41 110.981 179.993 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -154.97 73.36 5.73 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.559 0.695 . . . . 75.33 110.882 -179.914 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 127.6 14.8 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.681 2.254 . . . . 71.23 112.306 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 35.2 t80 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 72.31 110.932 -179.935 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.829 0.347 . . . . 75.12 110.944 . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -80.4 -41.61 11.35 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.756 -0.735 . . . . 65.53 112.476 179.937 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 61.83 69.73 0.62 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.743 0.306 . . . . 74.32 110.951 -179.871 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 15.0 tp60 59.37 80.28 0.2 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 74.24 110.901 -179.936 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.72 -35.83 33.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 74.13 110.879 -179.916 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 63.69 73.95 0.43 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 74.11 111.092 179.95 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.508 ' N ' ' HD2' ' A' ' 8' ' ' PRO . 0.2 OUTLIER -67.28 -58.99 7.92 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.644 0.735 . . . . 73.24 110.869 -179.924 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.508 ' HD2' ' N ' ' A' ' 7' ' ' PHE . 53.8 Cg_endo -69.76 167.73 23.61 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.665 2.243 . . . . 72.1 112.338 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 116.93 4.79 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.686 2.257 . . . . 74.41 112.351 179.938 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -179.49 89.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 71.31 110.941 -179.944 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -138.05 73.7 44.71 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.591 0.71 . . . . 74.44 110.869 -179.919 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 119.87 6.75 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.73 2.287 . . . . 71.41 112.366 179.942 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 16.2 t80 . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.231 -0.441 . . . . 73.12 110.946 -179.923 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.894 0.378 . . . . 75.4 110.912 . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -157.08 81.59 0.16 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.788 -0.72 . . . . 73.52 112.541 179.897 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 61.77 69.85 0.62 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.814 0.34 . . . . 74.51 110.924 -179.842 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 52.07 75.13 0.23 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 74.53 110.911 -179.947 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -50.68 -44.95 57.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 75.23 110.946 -179.958 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 63.81 74.01 0.43 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 71.3 111.124 179.911 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.51 ' N ' ' HD2' ' A' ' 8' ' ' PRO . 0.2 OUTLIER -67.25 -58.97 7.99 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.696 0.76 . . . . 73.12 110.903 -179.916 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 7' ' ' PHE . 53.5 Cg_endo -69.78 167.74 23.61 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.679 2.252 . . . . 54.21 112.325 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 107.25 1.82 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.657 2.238 . . . . 74.23 112.374 179.94 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -179.49 89.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 74.44 110.882 -179.952 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -52.16 160.57 1.19 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.607 0.718 . . . . 74.23 110.907 -179.974 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 160.11 50.92 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.675 2.25 . . . . 63.3 112.359 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 49.3 t80 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 74.55 110.899 -179.867 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.846 0.355 . . . . 62.33 110.893 . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -140.91 36.29 1.77 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.77 -0.729 . . . . 72.21 112.507 179.888 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 61.86 69.75 0.62 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.724 0.297 . . . . 61.4 110.899 -179.875 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 58.8 79.06 0.23 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 65.14 110.877 -179.977 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.76 -40.19 54.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 75.43 110.895 -179.931 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 63.89 73.92 0.43 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 74.33 111.091 179.877 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.495 ' N ' ' HD2' ' A' ' 8' ' ' PRO . 0.2 OUTLIER -67.32 -58.96 7.92 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.61 0.719 . . . . 74.33 110.866 -179.904 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 7' ' ' PHE . 53.6 Cg_endo -69.81 167.7 23.74 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.699 2.266 . . . . 75.01 112.339 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 142.1 47.09 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.67 2.247 . . . . 73.12 112.388 179.942 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 -179.49 89.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 74.22 110.965 -179.96 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -89.77 160.56 40.95 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.586 0.708 . . . . 72.24 110.92 -179.924 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 99.08 0.72 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.737 2.291 . . . . 64.32 112.344 179.981 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 16.0 t80 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 74.12 110.962 -179.94 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.851 0.358 . . . . 73.35 110.896 . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -168.33 -81.08 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.735 -0.745 . . . . 64.13 112.457 179.937 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 61.82 69.82 0.62 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.797 0.332 . . . . 75.1 110.909 -179.876 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.9 tp60 55.01 77.21 0.22 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 74.13 110.938 -179.944 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? -50.7 -40.8 54.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 74.13 110.894 -179.908 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 62.41 73.34 0.47 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 72.13 111.126 179.93 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.501 ' N ' ' HD2' ' A' ' 8' ' ' PRO . 0.1 OUTLIER -67.26 -58.94 8.03 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.664 0.745 . . . . 73.31 110.906 -179.914 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.501 ' HD2' ' N ' ' A' ' 7' ' ' PHE . 53.8 Cg_endo -69.77 167.75 23.55 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.667 2.245 . . . . 73.04 112.325 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 89.91 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.653 2.235 . . . . 75.02 112.382 179.91 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.1 tm0? -179.45 89.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 73.43 110.914 -179.963 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.46 160.58 28.85 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.614 0.721 . . . . 74.11 110.918 -179.972 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 114.31 3.67 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.614 2.209 . . . . 65.21 112.366 179.992 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 73.2 110.94 -179.905 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.891 0.377 . . . . 73.31 110.878 . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 138.35 88.19 0.19 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.778 -0.725 . . . . 63.44 112.516 179.902 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 61.82 69.77 0.62 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.756 0.312 . . . . 73.24 110.899 -179.868 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -174.17 76.71 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 72.03 110.904 -179.985 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.73 -55.24 17.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.438 . . . . 74.01 110.863 -179.927 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 62.45 73.37 0.47 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 75.44 111.089 179.92 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.511 ' N ' ' HD2' ' A' ' 8' ' ' PRO . 0.1 OUTLIER -67.28 -59.01 7.88 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.649 0.738 . . . . 72.11 110.868 -179.923 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.511 ' HD2' ' N ' ' A' ' 7' ' ' PHE . 53.7 Cg_endo -69.81 167.76 23.58 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.645 2.23 . . . . 75.51 112.333 -179.964 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 158.13 58.05 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.651 2.234 . . . . 72.43 112.37 179.978 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 51.92 78.58 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 65.42 110.906 -179.997 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -51.67 156.84 2.12 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.583 0.706 . . . . 73.43 110.906 -179.921 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 133.04 24.68 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.688 2.258 . . . . 72.14 112.358 -179.991 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 5.9 t80 . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.255 -0.43 . . . . 75.12 110.891 -179.895 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.821 0.343 . . . . 74.42 110.916 . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -155.67 -83.68 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.694 -0.765 . . . . 51.55 112.457 179.859 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 61.85 69.81 0.62 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.733 0.301 . . . . 73.53 110.899 -179.863 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 43.6 tp60 -174.17 67.77 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 75.41 110.897 -179.949 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -50.69 -31.69 17.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 73.13 110.934 -179.956 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 62.33 73.38 0.47 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 64.22 111.035 179.883 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.503 ' N ' ' HD2' ' A' ' 8' ' ' PRO . 0.1 OUTLIER -67.53 -58.94 7.68 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.591 0.71 . . . . 65.34 110.89 -179.946 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.503 ' HD2' ' N ' ' A' ' 7' ' ' PHE . 53.9 Cg_endo -69.8 167.08 25.51 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.664 2.242 . . . . 72.21 112.346 179.97 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 163.65 37.55 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.681 2.254 . . . . 74.22 112.302 -179.984 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 58.41 83.88 0.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 75.13 110.948 -179.975 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -51.76 160.54 1.06 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.531 0.682 . . . . 72.3 110.93 -179.921 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 90.19 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.66 2.24 . . . . 64.11 112.328 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 43.1 t80 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 71.54 110.901 -179.933 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.4 mp . . . . . 0 C--O 1.23 0.046 0 CA-C-O 120.843 0.354 . . . . 75.05 110.911 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -130.08 -73.24 0.13 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.748 -0.739 . . . . 72.21 112.528 179.896 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 61.83 69.72 0.62 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.725 0.297 . . . . 71.42 110.913 -179.925 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 57.81 79.49 0.2 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 74.32 110.889 -179.964 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? 179.42 -48.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 62.4 110.959 -179.962 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 63.8 73.97 0.43 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 51.35 111.104 179.882 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.501 ' N ' ' HD2' ' A' ' 8' ' ' PRO . 0.2 OUTLIER -67.3 -59.0 7.88 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.668 0.747 . . . . 74.32 110.884 -179.906 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.501 ' HD2' ' N ' ' A' ' 7' ' ' PHE . 54.1 Cg_endo -69.72 167.71 23.6 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.705 2.27 . . . . 71.33 112.348 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 146.92 61.69 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.709 2.273 . . . . 75.23 112.336 179.95 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -179.47 89.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 75.22 110.901 179.991 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -134.97 73.68 65.39 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.583 0.706 . . . . 75.44 110.949 -179.96 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 145.08 56.1 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.701 2.267 . . . . 63.52 112.343 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.8 t80 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 75.12 110.884 -179.91 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.83 0.348 . . . . 75.23 110.891 . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -80.64 -97.74 0.36 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.735 -0.745 . . . . 62.33 112.491 179.898 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 61.85 69.71 0.62 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.793 0.33 . . . . 74.23 110.914 -179.901 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 55.36 75.6 0.31 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 73.13 110.93 -179.949 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 179.08 93.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 72.42 110.915 -179.913 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 63.78 74.0 0.43 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 71.52 111.075 179.929 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.511 ' N ' ' HD2' ' A' ' 8' ' ' PRO . 0.1 OUTLIER -67.22 -58.97 8.02 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.673 0.749 . . . . 74.41 110.876 -179.948 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.511 ' HD2' ' N ' ' A' ' 7' ' ' PHE . 54.0 Cg_endo -69.81 167.72 23.69 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.693 2.262 . . . . 74.31 112.345 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 112.8 3.17 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.698 2.265 . . . . 75.33 112.328 179.963 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.8 tm0? -179.52 88.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 73.12 110.902 179.957 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 62.14 68.3 1.11 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.588 0.708 . . . . 75.23 110.938 -179.96 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 135.42 30.43 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.684 2.256 . . . . 75.41 112.306 -179.939 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 27.3 t80 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 74.23 110.887 -179.907 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 2.3 tt . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.804 0.335 . . . . 72.24 110.906 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -174.65 40.61 0.12 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.699 -0.762 . . . . 71.13 112.467 179.875 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 61.83 69.78 0.62 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.813 0.34 . . . . 72.44 110.945 -179.87 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 56.19 78.64 0.2 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 75.55 110.925 -179.923 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 179.46 -46.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 75.14 110.872 -179.936 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 63.82 73.99 0.43 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 74.12 111.066 179.913 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.501 ' N ' ' HD2' ' A' ' 8' ' ' PRO . 0.1 OUTLIER -67.3 -58.96 7.95 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.632 0.73 . . . . 73.42 110.854 -179.914 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.501 ' HD2' ' N ' ' A' ' 7' ' ' PHE . 54.1 Cg_endo -69.79 167.77 23.51 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.636 2.224 . . . . 75.22 112.38 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 158.16 57.84 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.675 2.25 . . . . 73.13 112.357 179.96 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -179.5 89.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.431 . . . . 71.53 110.917 -179.947 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.01 160.61 46.55 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.593 0.711 . . . . 72.43 110.964 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 169.24 19.46 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.687 2.258 . . . . 75.53 112.326 -179.996 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 9.8 t80 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 75.23 110.926 -179.894 . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.828 0.346 . . . . 73.52 110.924 . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -58.96 -59.15 11.31 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.752 -0.737 . . . . 74.34 112.502 179.907 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 61.86 69.69 0.62 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.708 0.29 . . . . 75.43 110.91 -179.917 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 36.0 tp60 59.68 81.2 0.18 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 75.24 110.921 -179.891 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.91 -33.52 24.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 73.21 110.958 179.996 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 63.73 73.99 0.43 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 75.31 111.126 179.947 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.502 ' N ' ' HD2' ' A' ' 8' ' ' PRO . 0.2 OUTLIER -67.27 -59.0 7.92 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.636 0.731 . . . . 62.34 110.881 -179.906 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.502 ' HD2' ' N ' ' A' ' 7' ' ' PHE . 54.2 Cg_endo -69.74 167.75 23.51 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.673 2.248 . . . . 73.5 112.344 -179.996 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 88.11 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.669 2.246 . . . . 75.33 112.333 179.976 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.4 tm0? -179.5 88.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 71.25 110.864 -179.984 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.13 160.57 30.6 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.591 0.71 . . . . 71.43 110.937 179.995 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 105.21 1.44 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.697 2.265 . . . . 64.34 112.35 -179.984 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 64.54 110.914 -179.917 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 5.6 mp . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.858 0.361 . . . . 75.1 110.885 . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -88.72 -99.85 0.98 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.749 -0.739 . . . . 64.12 112.488 179.888 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 61.75 69.83 0.62 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.78 0.324 . . . . 71.44 110.919 -179.861 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 18.6 tt0 -174.15 69.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 73.54 110.873 -179.955 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -50.74 -38.06 45.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 64.12 110.922 -179.977 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 63.75 74.0 0.43 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 63.22 111.116 179.92 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.503 ' N ' ' HD2' ' A' ' 8' ' ' PRO . 0.1 OUTLIER -67.29 -58.97 7.93 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.639 0.733 . . . . 71.44 110.868 -179.899 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.503 ' HD2' ' N ' ' A' ' 7' ' ' PHE . 53.9 Cg_endo -69.77 167.73 23.62 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.717 2.278 . . . . 72.13 112.32 -179.983 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 89.58 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.66 2.24 . . . . 74.33 112.358 179.931 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -179.49 90.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 74.42 110.907 -179.991 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.85 71.38 29.53 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.601 0.715 . . . . 73.15 110.93 -179.941 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 128.82 16.58 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.69 2.26 . . . . 75.51 112.346 179.997 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.474 . . . . 75.05 110.888 -179.876 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.035 0 CA-C-O 120.835 0.35 . . . . 74.42 110.919 . . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -86.64 -91.34 0.94 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.712 -0.756 . . . . 73.53 112.477 179.907 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 61.84 69.76 0.62 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.753 0.311 . . . . 71.14 110.969 -179.839 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 -174.15 68.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 74.2 110.901 -179.904 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.76 -31.67 17.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 74.02 110.939 -179.967 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 63.74 73.99 0.43 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 71.31 111.133 179.928 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.507 ' N ' ' HD2' ' A' ' 8' ' ' PRO . 0.2 OUTLIER -67.28 -58.96 7.97 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.608 0.718 . . . . 73.04 110.902 -179.92 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.507 ' HD2' ' N ' ' A' ' 7' ' ' PHE . 53.6 Cg_endo -69.8 167.74 23.62 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.682 2.255 . . . . 72.34 112.355 -179.989 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 102.59 1.04 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.706 2.271 . . . . 70.42 112.347 179.95 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -179.5 89.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 61.13 110.898 -179.996 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -169.48 71.93 0.69 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.558 0.694 . . . . 74.12 110.88 -179.953 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 90.95 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.674 2.249 . . . . 75.02 112.331 179.98 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 85.7 t80 . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.238 -0.437 . . . . 72.3 110.94 -179.953 . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 2.8 mp . . . . . 0 C--O 1.23 0.044 0 CA-C-O 120.889 0.376 . . . . 73.51 110.908 . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 78.79 51.08 5.64 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.76 -0.733 . . . . 61.52 112.506 179.92 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 61.86 69.73 0.62 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.721 0.296 . . . . 72.23 110.884 -179.887 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -174.15 75.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 74.12 110.891 -179.96 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.66 -38.57 47.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 75.03 110.906 -179.946 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 62.37 73.33 0.47 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 73.41 111.088 179.928 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.511 ' N ' ' HD2' ' A' ' 8' ' ' PRO . 0.2 OUTLIER -67.28 -58.95 7.98 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.682 0.753 . . . . 64.33 110.895 -179.906 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.511 ' HD2' ' N ' ' A' ' 7' ' ' PHE . 53.7 Cg_endo -69.78 167.74 23.59 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.703 2.269 . . . . 61.14 112.347 179.99 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 129.21 17.21 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.647 2.231 . . . . 65.21 112.349 179.935 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -179.52 90.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 75.01 110.925 179.991 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 57.06 69.01 1.81 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.535 0.683 . . . . 74.23 110.869 -179.94 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 108.85 2.17 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.655 2.237 . . . . 75.35 112.361 179.972 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 18.3 t80 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 75.52 110.924 -179.889 . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.049 0 CA-C-O 120.825 0.345 . . . . 75.21 110.934 . . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 101.27 -34.79 5.36 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.796 -0.716 . . . . 54.23 112.504 179.904 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 61.82 69.78 0.62 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.742 0.306 . . . . 73.2 110.921 -179.913 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -174.16 86.15 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 54.03 110.893 -179.944 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -50.67 -34.38 26.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 72.23 110.901 -179.948 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 63.84 73.99 0.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 72.5 111.096 179.945 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.508 ' N ' ' HD2' ' A' ' 8' ' ' PRO . 0.2 OUTLIER -67.24 -59.04 7.89 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.686 0.755 . . . . 75.41 110.883 -179.937 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.508 ' HD2' ' N ' ' A' ' 7' ' ' PHE . 53.4 Cg_endo -69.79 167.76 23.55 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.712 2.275 . . . . 72.42 112.32 -179.95 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 87.83 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.694 2.263 . . . . 73.53 112.369 179.981 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -179.47 88.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 71.05 110.929 -179.989 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -112.7 160.58 30.1 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.599 0.714 . . . . 75.44 110.951 -179.984 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 79.51 0.93 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.708 2.272 . . . . 73.41 112.336 -179.977 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 68.4 t80 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 73.43 110.916 -179.897 . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.035 0 CA-C-O 120.871 0.367 . . . . 75.12 110.912 . . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -170.43 -79.55 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.698 -0.763 . . . . 74.11 112.465 179.963 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 61.89 69.85 0.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.801 0.334 . . . . 64.54 110.891 -179.877 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -174.17 86.2 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 74.13 110.944 -179.995 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.7 -39.1 50.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 75.3 110.937 -179.948 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 63.8 73.99 0.43 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 63.33 111.123 179.895 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.502 ' N ' ' HD2' ' A' ' 8' ' ' PRO . 0.2 OUTLIER -67.32 -58.97 7.9 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.618 0.723 . . . . 72.24 110.867 -179.903 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.502 ' HD2' ' N ' ' A' ' 7' ' ' PHE . 53.9 Cg_endo -69.78 167.76 23.53 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.648 2.232 . . . . 75.44 112.381 -179.996 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 126.6 13.49 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.688 2.259 . . . . 54.53 112.346 179.959 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -179.57 89.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.447 . . . . 75.35 110.9 -179.978 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -59.96 160.61 15.13 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.581 0.705 . . . . 70.3 110.942 -179.926 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 127.36 14.47 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.701 2.267 . . . . 73.33 112.316 -179.993 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 77.5 t80 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 75.2 110.955 -179.948 . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.877 0.37 . . . . 73.54 110.95 . . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 167.44 -47.83 0.25 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.771 -0.728 . . . . 73.43 112.486 179.902 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 61.82 69.8 0.62 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.836 0.35 . . . . 72.14 110.916 -179.874 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 58.84 75.54 0.39 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 74.3 110.898 -179.973 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 179.43 -42.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 73.1 110.924 -179.935 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 62.44 73.44 0.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 65.23 111.052 179.902 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.509 ' N ' ' HD2' ' A' ' 8' ' ' PRO . 0.1 OUTLIER -67.31 -59.02 7.83 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.681 0.753 . . . . 72.13 110.842 -179.913 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.509 ' HD2' ' N ' ' A' ' 7' ' ' PHE . 53.5 Cg_endo -69.72 167.75 23.47 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.706 2.27 . . . . 72.3 112.339 -179.986 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 87.97 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.646 2.231 . . . . 74.1 112.358 179.942 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.9 tm0? -179.49 90.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 74.12 110.915 -179.996 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.0 pm0 -51.66 156.84 2.11 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.569 0.7 . . . . 74.12 110.911 -179.924 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 107.45 1.86 Allowed 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.642 2.228 . . . . 73.23 112.336 -179.978 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.2 t80 . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.25 -0.432 . . . . 70.51 110.905 -179.892 . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.883 0.373 . . . . 72.32 110.917 . . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -104.98 52.77 0.7 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.735 -0.745 . . . . 74.21 112.503 179.888 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 61.86 69.71 0.62 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.751 0.31 . . . . 72.55 110.894 -179.904 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 38.3 tt0 -174.11 73.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 73.01 110.891 -179.99 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 179.38 -53.89 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 73.5 110.92 -179.907 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 62.32 73.31 0.47 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 73.13 111.149 179.96 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.51 ' N ' ' HD2' ' A' ' 8' ' ' PRO . 0.2 OUTLIER -67.22 -59.0 7.97 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.661 0.743 . . . . 73.24 110.893 -179.922 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 7' ' ' PHE . 54.0 Cg_endo -69.75 167.76 23.48 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.639 2.226 . . . . 74.25 112.378 179.987 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 158.95 55.17 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.665 2.243 . . . . 74.5 112.329 179.972 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -179.49 89.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 73.13 110.887 -179.969 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -136.99 69.24 57.54 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.57 0.7 . . . . 74.33 110.892 -179.935 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 94.32 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.662 2.242 . . . . 73.21 112.39 179.966 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 4.5 t80 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 64.25 110.953 -179.909 . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.865 0.364 . . . . 72.52 110.919 . . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 148.18 -59.48 0.46 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.783 -0.722 . . . . 71.21 112.522 179.918 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 61.77 69.85 0.62 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.785 0.326 . . . . 64.14 110.887 -179.874 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -174.16 75.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 72.33 110.909 -179.939 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 179.08 93.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 75.41 110.899 -179.96 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 63.85 73.91 0.43 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 74.13 111.108 179.921 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.504 ' N ' ' HD2' ' A' ' 8' ' ' PRO . 0.1 OUTLIER -67.25 -58.96 8.01 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.638 0.732 . . . . 71.44 110.904 -179.907 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.504 ' HD2' ' N ' ' A' ' 7' ' ' PHE . 53.5 Cg_endo -69.71 167.73 23.54 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.732 2.288 . . . . 73.34 112.303 179.981 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 103.96 1.25 Allowed 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.64 2.226 . . . . 73.13 112.38 179.923 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -179.49 89.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 74.12 110.917 -179.959 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -146.92 73.05 12.35 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.631 0.729 . . . . 74.32 110.915 -179.982 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 94.1 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.735 2.29 . . . . 75.34 112.317 -179.962 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 74.02 110.897 -179.892 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.041 0 CA-C-O 120.852 0.358 . . . . 74.43 110.935 . . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -111.01 -42.69 1.07 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.77 -0.729 . . . . 65.14 112.512 179.903 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 61.82 69.81 0.62 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.723 0.297 . . . . 75.42 110.875 -179.902 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 69.8 tp60 -174.2 85.27 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.448 . . . . 73.24 110.909 -179.973 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 179.07 93.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 74.14 110.868 -179.984 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 63.83 74.0 0.43 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 71.31 111.117 179.93 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.502 ' N ' ' HD2' ' A' ' 8' ' ' PRO . 0.1 OUTLIER -67.31 -59.0 7.86 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.676 0.751 . . . . 72.4 110.878 -179.91 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.502 ' HD2' ' N ' ' A' ' 7' ' ' PHE . 54.2 Cg_endo -69.72 167.72 23.57 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.649 2.233 . . . . 72.34 112.383 179.988 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 111.5 2.83 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.681 2.254 . . . . 74.51 112.304 179.951 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -179.49 89.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 73.44 110.931 179.961 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -86.45 160.59 50.66 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.615 0.721 . . . . 74.32 110.866 -179.916 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 107.46 1.87 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.663 2.242 . . . . 74.04 112.364 179.999 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 75.35 110.889 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.837 0.351 . . . . 70.54 110.918 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -148.91 -71.0 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.743 -0.742 . . . . 75.2 112.472 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 61.76 69.79 0.62 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.777 0.322 . . . . 71.21 110.906 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -174.16 64.84 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 73.52 110.912 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.7 -34.38 26.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 73.23 110.948 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 63.84 74.01 0.43 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 73.11 111.047 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.515 ' N ' ' HD2' ' A' ' 8' ' ' PRO . 0.2 OUTLIER -67.31 -58.97 7.92 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.649 0.738 . . . . 72.13 110.855 -179.919 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.515 ' HD2' ' N ' ' A' ' 7' ' ' PHE . 53.0 Cg_endo -69.8 167.79 23.46 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.648 2.232 . . . . 71.12 112.349 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 110.25 2.52 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.661 2.24 . . . . 70.34 112.316 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -179.56 89.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 71.22 110.925 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -157.99 72.13 4.1 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.583 0.706 . . . . 61.15 110.929 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 116.83 4.74 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.676 2.25 . . . . 64.24 112.362 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 75.4 110.91 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.7 tt . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.791 0.329 . . . . 75.31 110.94 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 173.39 -53.32 0.16 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.75 -0.738 . . . . 63.31 112.483 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 61.83 69.76 0.62 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.791 0.329 . . . . 72.31 110.96 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -174.14 69.21 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 73.51 110.903 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.77 -46.85 59.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 74.11 110.869 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 62.41 73.32 0.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 74.41 111.077 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.467 ' HB2' ' HD2' ' A' ' 8' ' ' PRO . 2.9 p90 -51.71 159.43 1.3 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.659 0.743 . . . . 74.41 110.875 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.467 ' HD2' ' HB2' ' A' ' 7' ' ' PHE . 53.7 Cg_endo -69.74 167.72 23.6 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.65 2.233 . . . . 75.15 112.344 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 160.58 49.19 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.685 2.257 . . . . 73.23 112.348 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 51.92 78.59 0.12 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 74.13 110.911 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -173.69 70.38 0.35 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.613 0.72 . . . . 53.41 110.919 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 139.92 41.66 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.704 2.269 . . . . 70.42 112.349 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 18.3 t80 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 65.23 110.921 -179.916 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.526 0.03 0 CA-C-O 120.862 0.363 . . . . 51.14 110.885 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -163.54 35.76 0.31 Allowed Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.672 -0.775 . . . . 62.34 112.433 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 61.83 69.82 0.62 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.744 0.307 . . . . 44.12 110.906 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 42.9 tp60 -174.23 83.61 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 74.24 110.897 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 179.66 34.55 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 71.22 110.888 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 62.4 73.39 0.47 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.239 -0.437 . . . . 72.31 111.124 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.434 ' HB2' ' HD2' ' A' ' 8' ' ' PRO . 1.5 p90 -51.73 156.9 2.14 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.664 0.745 . . . . 73.0 110.853 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.434 ' HD2' ' HB2' ' A' ' 7' ' ' PHE . 53.8 Cg_endo -69.8 167.71 23.72 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.73 2.287 . . . . 71.33 112.333 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 98.27 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.669 2.246 . . . . 63.13 112.381 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 51.95 78.61 0.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 63.34 110.889 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -169.48 71.04 0.68 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.628 0.728 . . . . 71.54 110.945 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 132.91 24.4 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.686 2.258 . . . . 70.33 112.35 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.2 t80 . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.251 -0.432 . . . . 72.42 110.871 -179.887 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 6.5 mp . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.826 0.346 . . . . 74.33 110.924 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 176.3 -80.39 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.743 -0.741 . . . . 61.13 112.48 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 61.85 69.72 0.62 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.757 0.313 . . . . 75.34 110.931 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 58.26 79.37 0.21 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 65.23 110.902 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -50.61 -31.59 16.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 44.44 110.965 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 63.79 73.96 0.43 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 74.51 111.07 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.452 ' HB2' ' HD2' ' A' ' 8' ' ' PRO . 1.6 p90 -51.79 156.83 2.22 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.676 0.751 . . . . 71.04 110.909 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.452 ' HD2' ' HB2' ' A' ' 7' ' ' PHE . 54.0 Cg_endo -69.7 167.75 23.46 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.681 2.254 . . . . 61.22 112.351 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 129.12 17.01 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.656 2.237 . . . . 63.54 112.35 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -179.49 89.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 75.21 110.907 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 59.59 69.06 1.36 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.605 0.717 . . . . 74.13 110.9 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 116.75 4.71 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.712 2.274 . . . . 70.53 112.33 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.221 -0.445 . . . . 73.33 110.955 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.886 0.374 . . . . 73.53 110.945 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -98.64 -35.42 4.91 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.818 -0.706 . . . . 64.43 112.523 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 61.82 69.78 0.62 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.737 0.303 . . . . 72.14 110.917 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -174.18 69.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 72.31 110.883 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 51.54 48.17 23.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 62.04 110.915 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 63.8 73.99 0.43 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 73.41 111.108 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.453 ' HB2' ' HD2' ' A' ' 8' ' ' PRO . 1.6 p90 -51.71 156.89 2.13 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.66 0.743 . . . . 64.11 110.914 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.453 ' HD2' ' HB2' ' A' ' 7' ' ' PHE . 53.1 Cg_endo -69.81 167.75 23.62 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.616 2.211 . . . . 64.23 112.37 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 159.01 55.04 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.656 2.238 . . . . 72.33 112.351 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -179.53 89.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 71.2 110.939 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -165.86 73.04 1.29 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.566 0.698 . . . . 74.31 110.904 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 86.85 0.58 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.653 2.235 . . . . 71.22 112.348 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 9.9 t80 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 73.03 110.895 -179.887 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 5.9 mp . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.874 0.369 . . . . 52.13 110.914 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -167.76 82.43 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.751 -0.738 . . . . 65.13 112.451 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 61.86 69.71 0.62 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.772 0.32 . . . . 74.55 110.919 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -174.17 74.27 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 72.3 110.896 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.71 -53.84 28.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 73.31 110.903 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 63.81 73.95 0.43 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 53.11 111.13 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.446 ' HB2' ' HD2' ' A' ' 8' ' ' PRO . 1.5 p90 -51.77 156.87 2.18 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.687 0.756 . . . . 75.34 110.856 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.446 ' HD2' ' HB2' ' A' ' 7' ' ' PHE . 54.1 Cg_endo -69.73 167.76 23.48 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.673 2.249 . . . . 73.32 112.371 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 148.81 65.66 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.664 2.242 . . . . 74.41 112.335 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -179.52 89.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 63.13 110.932 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -136.4 73.73 55.73 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.605 0.716 . . . . 65.33 110.876 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 139.45 39.98 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.642 2.228 . . . . 71.23 112.337 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.4 t80 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 71.02 110.878 -179.856 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 8.4 mp . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.849 0.357 . . . . 71.54 110.915 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -65.66 -86.54 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.744 -0.741 . . . . 43.32 112.451 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 61.82 69.8 0.62 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.753 0.311 . . . . 60.02 110.901 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -174.18 76.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 62.23 110.918 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.65 -61.27 2.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 65.54 110.933 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 63.86 73.94 0.43 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 45.13 111.105 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.454 ' HB2' ' HD2' ' A' ' 8' ' ' PRO . 1.5 p90 -51.77 156.85 2.19 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.689 0.757 . . . . 71.2 110.873 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.454 ' HD2' ' HB2' ' A' ' 7' ' ' PHE . 53.4 Cg_endo -69.71 167.72 23.56 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.709 2.272 . . . . 74.03 112.32 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 153.93 68.36 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.637 2.225 . . . . 72.45 112.396 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -179.5 89.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 73.25 110.929 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -67.91 160.6 73.04 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.571 0.7 . . . . 51.32 110.925 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 120.68 7.41 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.683 2.255 . . . . 62.54 112.335 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 59.1 t80 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 71.35 110.929 -179.888 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 4.5 mp . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.839 0.352 . . . . 74.53 110.908 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -163.29 83.38 0.11 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.747 -0.739 . . . . 62.23 112.486 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 61.84 69.75 0.62 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.748 0.309 . . . . 74.12 110.893 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -174.16 75.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 75.54 110.933 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -50.67 -31.61 16.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 74.05 110.871 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 63.8 74.05 0.43 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 43.34 111.103 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.453 ' HB2' ' HD2' ' A' ' 8' ' ' PRO . 1.5 p90 -51.79 156.89 2.19 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.63 0.729 . . . . 72.35 110.895 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.453 ' HD2' ' HB2' ' A' ' 7' ' ' PHE . 54.1 Cg_endo -69.81 167.74 23.65 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.677 2.251 . . . . 61.43 112.372 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 147.8 63.62 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.694 2.262 . . . . 65.11 112.312 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -179.51 89.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 75.23 110.909 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -157.64 72.95 4.28 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.614 0.721 . . . . 72.23 110.931 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 98.06 0.66 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.721 2.28 . . . . 75.13 112.345 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 77.4 t80 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.439 . . . . 74.13 110.911 -179.895 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.826 0.346 . . . . 72.41 110.923 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 78.77 46.68 8.37 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.798 -0.715 . . . . 64.23 112.457 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 61.81 69.79 0.62 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.741 0.305 . . . . 72.31 110.887 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -174.2 83.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 63.11 110.867 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 179.43 -39.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 63.45 110.88 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 63.81 73.99 0.43 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 71.11 111.089 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.436 ' HB2' ' HD2' ' A' ' 8' ' ' PRO . 1.7 p90 -51.73 156.85 2.16 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.646 0.736 . . . . 71.05 110.885 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.436 ' HD2' ' HB2' ' A' ' 7' ' ' PHE . 54.0 Cg_endo -69.8 167.75 23.59 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.651 2.234 . . . . 71.21 112.336 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 136.22 32.35 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.669 2.246 . . . . 61.25 112.346 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -179.46 89.56 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 73.15 110.877 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -159.62 68.38 3.06 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.592 0.71 . . . . 74.13 110.954 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 135.81 31.44 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.678 2.252 . . . . 74.25 112.329 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 116.257 -0.429 . . . . 65.21 110.899 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.857 0.36 . . . . 73.41 110.944 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -82.79 -51.3 4.31 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.779 -0.724 . . . . 53.25 112.451 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 61.8 69.75 0.62 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.793 0.33 . . . . 73.14 110.923 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -174.13 64.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 73.41 110.922 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -51.03 -36.51 40.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 54.11 110.894 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 62.43 73.41 0.47 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 72.1 111.09 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.445 ' HB2' ' HD2' ' A' ' 8' ' ' PRO . 1.6 p90 -51.83 156.89 2.22 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.639 0.733 . . . . 72.41 110.892 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.445 ' HD2' ' HB2' ' A' ' 7' ' ' PHE . 53.6 Cg_endo -69.78 167.76 23.53 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.663 2.242 . . . . 75.21 112.317 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 160.53 49.35 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.694 2.262 . . . . 75.15 112.344 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -179.48 89.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 74.54 110.909 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -137.28 73.68 49.99 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.605 0.717 . . . . 72.24 110.905 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 165.96 29.32 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.65 2.233 . . . . 63.43 112.336 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 9.5 t80 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 74.32 110.958 -179.909 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.6 mp . . . . . 0 CA--C 1.526 0.046 0 CA-C-O 120.844 0.354 . . . . 75.0 110.903 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -152.09 48.08 0.55 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.684 -0.769 . . . . 71.4 112.468 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 61.76 69.81 0.62 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.804 0.335 . . . . 71.42 110.956 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -174.17 72.13 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 72.33 110.942 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 179.46 -36.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 74.21 110.913 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 63.83 73.99 0.43 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 73.21 111.109 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.457 ' HB2' ' HD2' ' A' ' 8' ' ' PRO . 1.6 p90 -51.75 156.83 2.19 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.671 0.748 . . . . 75.24 110.874 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.457 ' HD2' ' HB2' ' A' ' 7' ' ' PHE . 53.5 Cg_endo -69.76 167.75 23.55 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.673 2.249 . . . . 45.42 112.338 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 121.28 7.97 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.691 2.261 . . . . 65.11 112.365 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -179.53 89.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 74.43 110.887 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -113.54 157.7 40.69 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.572 0.701 . . . . 75.02 110.92 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 141.44 45.38 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.674 2.25 . . . . 61.31 112.351 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.7 t80 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 73.34 110.902 -179.902 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.864 0.364 . . . . 72.2 110.927 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 88.62 38.79 6.9 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.764 -0.732 . . . . 73.42 112.513 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 61.86 69.83 0.62 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.761 0.315 . . . . 74.0 110.856 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -174.19 67.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 74.41 110.931 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -51.09 -30.42 15.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 71.1 110.931 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 63.73 74.13 0.42 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 52.31 111.099 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.463 ' HB2' ' HD2' ' A' ' 8' ' ' PRO . 1.6 p90 -51.79 156.85 2.21 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.669 0.747 . . . . 71.2 110.858 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.463 ' HD2' ' HB2' ' A' ' 7' ' ' PHE . 53.5 Cg_endo -69.77 167.73 23.6 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.66 2.24 . . . . 70.11 112.379 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 109.89 2.42 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.676 2.251 . . . . 75.32 112.32 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -144.04 72.14 1.34 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 71.3 110.904 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -139.91 73.64 33.05 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.581 0.705 . . . . 74.02 110.895 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 121.24 7.93 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.685 2.256 . . . . 73.2 112.356 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 9.2 t80 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 75.21 110.921 -179.914 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.047 0 CA-C-O 120.807 0.337 . . . . 53.24 110.934 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 141.77 103.83 0.51 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.682 -0.77 . . . . 60.02 112.457 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 61.88 69.73 0.62 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.77 0.319 . . . . 74.33 110.898 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -174.11 65.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 74.42 110.893 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 51.54 55.22 9.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 74.52 110.933 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 178.78 77.69 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 64.23 111.094 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.461 ' HB2' ' HD2' ' A' ' 8' ' ' PRO . 2.0 p90 -51.74 156.89 2.15 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.665 0.745 . . . . 73.32 110.866 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.461 ' HD2' ' HB2' ' A' ' 7' ' ' PHE . 53.3 Cg_endo -69.8 167.79 23.48 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.679 2.252 . . . . 74.43 112.326 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 133.57 25.84 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.648 2.232 . . . . 64.52 112.349 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -179.52 89.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 70.11 110.889 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.67 160.56 82.27 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.575 0.703 . . . . 53.04 110.945 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 145.02 56.24 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.699 2.266 . . . . 62.04 112.354 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.1 t80 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.268 -0.423 . . . . 74.11 110.923 -179.937 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.889 0.376 . . . . 55.22 110.931 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 151.81 75.07 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.751 -0.738 . . . . 52.32 112.475 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 61.84 69.78 0.62 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.774 0.321 . . . . 74.33 110.934 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -174.18 72.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 65.31 110.925 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.401 ' O ' ' HB2' ' A' ' 6' ' ' ALA . 0.8 OUTLIER -50.72 -48.97 58.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 73.24 110.895 -179.932 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.401 ' HB2' ' O ' ' A' ' 5' ' ' GLN . . . 178.76 80.04 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 52.55 111.124 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.452 ' HB2' ' HD2' ' A' ' 8' ' ' PRO . 1.5 p90 -51.68 156.84 2.13 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.69 0.757 . . . . 62.01 110.857 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.452 ' HD2' ' HB2' ' A' ' 7' ' ' PHE . 54.4 Cg_endo -69.67 167.72 23.51 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.7 2.267 . . . . 75.42 112.364 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 136.49 33.06 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.68 2.253 . . . . 71.25 112.355 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -179.49 89.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 61.51 110.911 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -100.82 160.59 26.34 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.617 0.722 . . . . 63.42 110.865 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 156.47 63.4 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.691 2.26 . . . . 61.52 112.364 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 11.4 t80 . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.233 -0.439 . . . . 74.34 110.921 -179.919 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.845 0.355 . . . . 62.24 110.92 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 130.57 98.32 0.8 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.731 -0.747 . . . . 72.33 112.516 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 61.83 69.83 0.62 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.789 0.328 . . . . 65.42 110.925 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -174.21 84.76 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 73.01 110.916 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.403 ' O ' ' HB2' ' A' ' 6' ' ' ALA . 0.0 OUTLIER 179.47 -37.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 75.52 110.926 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.403 ' HB2' ' O ' ' A' ' 5' ' ' GLN . . . 178.74 77.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 54.21 111.079 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.445 ' HB2' ' HD2' ' A' ' 8' ' ' PRO . 1.9 p90 -51.76 156.87 2.18 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.655 0.741 . . . . 75.42 110.864 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.445 ' HD2' ' HB2' ' A' ' 7' ' ' PHE . 53.6 Cg_endo -69.83 167.75 23.62 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.699 2.266 . . . . 74.35 112.322 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 124.12 10.77 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.697 2.265 . . . . 64.31 112.327 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -179.54 89.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 75.14 110.856 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -160.89 70.03 2.68 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.594 0.712 . . . . 61.33 110.947 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 156.0 64.51 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.614 2.209 . . . . 70.54 112.357 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 69.6 t80 . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.225 -0.443 . . . . 74.45 110.956 -179.926 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.881 0.372 . . . . 73.43 110.921 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 80.79 66.99 1.58 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.731 -0.747 . . . . 73.44 112.549 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 61.93 69.78 0.62 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.741 0.305 . . . . 54.21 110.909 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -88.65 49.55 1.81 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 73.14 110.913 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -50.7 -44.14 57.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 64.32 110.878 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 63.86 74.02 0.42 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.447 . . . . 73.23 111.067 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.465 ' HB2' ' HD2' ' A' ' 8' ' ' PRO . 2.9 p90 -51.65 159.46 1.27 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.666 0.745 . . . . 71.45 110.862 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.465 ' HD2' ' HB2' ' A' ' 7' ' ' PHE . 53.8 Cg_endo -69.82 167.72 23.69 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.69 2.26 . . . . 74.41 112.345 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 116.78 4.71 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.704 2.269 . . . . 53.0 112.307 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -179.55 89.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 72.52 110.942 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -70.52 160.61 80.86 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.557 0.694 . . . . 71.55 110.908 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 108.53 2.1 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.684 2.256 . . . . 64.33 112.311 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 62.1 t80 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 75.31 110.922 -179.944 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.7 mp . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.836 0.35 . . . . 64.2 110.914 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -172.68 74.63 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.757 -0.735 . . . . 74.04 112.498 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 61.81 69.8 0.62 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.727 0.299 . . . . 63.03 110.884 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 56.11 78.63 0.2 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 64.32 110.92 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -50.95 -38.55 51.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 72.43 110.902 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 63.82 73.99 0.43 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 73.24 111.094 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.458 ' HB2' ' HD2' ' A' ' 8' ' ' PRO . 1.5 p90 -51.69 156.84 2.13 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.651 0.738 . . . . 72.11 110.86 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.458 ' HD2' ' HB2' ' A' ' 7' ' ' PHE . 53.6 Cg_endo -69.77 167.74 23.59 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.685 2.257 . . . . 70.35 112.355 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 10' ' ' GLN . 53.4 Cg_endo -69.75 110.66 2.61 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.689 2.26 . . . . 74.53 112.315 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.413 ' C ' ' O ' ' A' ' 9' ' ' PRO . 12.9 pt20 37.13 66.3 0.44 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 75.41 110.947 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -147.7 160.59 38.01 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.593 0.711 . . . . 74.01 110.927 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 152.47 69.28 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.687 2.258 . . . . 31.55 112.36 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 57.3 t80 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 73.51 110.864 -179.902 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.858 0.361 . . . . 72.13 110.899 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 139.66 53.45 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.777 -0.725 . . . . 40.42 112.531 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 61.8 69.75 0.62 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.775 0.321 . . . . 62.22 110.968 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 7.7 tp60 -174.15 84.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 73.14 110.941 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.411 ' O ' ' HB2' ' A' ' 6' ' ' ALA . 2.0 tm0? 179.1 93.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 74.33 110.904 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.411 ' HB2' ' O ' ' A' ' 5' ' ' GLN . . . 178.74 78.86 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 75.13 111.123 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.456 ' HB2' ' HD2' ' A' ' 8' ' ' PRO . 1.8 p90 -51.76 156.84 2.19 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.665 0.745 . . . . 74.14 110.873 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.456 ' HD2' ' HB2' ' A' ' 7' ' ' PHE . 52.9 Cg_endo -69.76 167.72 23.62 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.72 2.28 . . . . 64.24 112.337 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 147.71 63.6 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.686 2.257 . . . . 63.21 112.323 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -179.48 88.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 75.22 110.892 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -51.61 156.84 2.07 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.559 0.695 . . . . 64.41 110.932 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 100.29 0.82 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.667 2.245 . . . . 71.51 112.359 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 15.2 t80 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 75.15 110.931 -179.903 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.926 0.393 . . . . 70.34 110.929 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -96.85 -38.66 4.33 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.761 -0.733 . . . . 64.52 112.5 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 61.86 69.76 0.62 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.733 0.302 . . . . 71.43 110.855 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -174.15 71.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 74.13 110.9 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.404 ' O ' ' HB2' ' A' ' 6' ' ' ALA . 0.9 OUTLIER 51.67 80.23 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 53.4 110.905 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.404 ' HB2' ' O ' ' A' ' 5' ' ' GLN . . . 178.74 81.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 75.42 111.131 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.438 ' HB2' ' HD2' ' A' ' 8' ' ' PRO . 0.5 OUTLIER -149.26 158.33 38.54 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.617 0.722 . . . . 71.22 110.857 -179.861 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.438 ' HD2' ' HB2' ' A' ' 7' ' ' PHE . 53.7 Cg_endo -69.76 167.74 23.56 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.658 2.238 . . . . 53.51 112.359 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 115.52 4.13 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.699 2.266 . . . . 73.21 112.343 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -179.51 89.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 72.43 110.91 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -113.76 73.55 2.24 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.593 0.711 . . . . 73.13 110.931 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 101.54 0.93 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.677 2.252 . . . . 71.21 112.3 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.8 t80 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 75.45 110.926 -179.931 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.2 mp . . . . . 0 C--O 1.229 0.023 0 CA-C-O 120.898 0.38 . . . . 70.03 110.934 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 175.31 -45.79 0.13 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.7 -0.762 . . . . 54.31 112.475 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 61.76 69.79 0.62 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.78 0.324 . . . . 73.51 110.933 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -174.15 80.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 75.32 110.93 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 179.58 34.6 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 61.41 110.938 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 63.79 73.94 0.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 71.1 111.121 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.45 ' HB2' ' HD2' ' A' ' 8' ' ' PRO . 7.2 p90 -51.68 156.87 2.11 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.599 0.714 . . . . 74.12 110.895 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.45 ' HD2' ' HB2' ' A' ' 7' ' ' PHE . 53.7 Cg_endo -69.79 112.3 3.05 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.636 2.224 . . . . 62.24 112.336 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.435 ' HD2' ' HA ' ' A' ' 8' ' ' PRO . 54.1 Cg_endo -69.76 109.57 2.34 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.722 2.281 . . . . 74.44 112.322 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.4 tm0? -179.52 89.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 74.12 110.883 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -113.53 157.69 40.7 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.598 0.713 . . . . 74.12 110.894 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 139.04 39.15 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.67 2.247 . . . . 61.43 112.34 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 40.7 t80 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 75.52 110.952 -179.907 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 4.5 mp . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.829 0.347 . . . . 64.45 110.906 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 168.31 -67.36 0.18 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.801 -0.714 . . . . 54.54 112.514 179.889 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 61.74 69.81 0.62 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.781 0.324 . . . . 71.04 110.935 -179.877 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -174.17 78.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 72.41 110.959 -179.949 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -50.67 -41.99 56.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 73.43 110.897 -179.899 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 63.77 74.05 0.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 74.25 111.111 179.955 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.466 ' HB2' ' HD2' ' A' ' 8' ' ' PRO . 2.9 p90 -51.79 156.9 2.19 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.66 0.743 . . . . 75.44 110.847 -179.929 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.466 ' HD2' ' HB2' ' A' ' 7' ' ' PHE . 53.9 Cg_endo -69.79 112.29 3.04 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.672 2.248 . . . . 72.12 112.336 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.452 ' HD2' ' HA ' ' A' ' 8' ' ' PRO . 53.6 Cg_endo -69.8 135.05 29.4 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.692 2.262 . . . . 74.22 112.337 179.956 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -144.07 72.74 1.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 72.41 110.981 179.993 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -154.97 73.36 5.73 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.559 0.695 . . . . 75.33 110.882 -179.914 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 127.6 14.8 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.681 2.254 . . . . 54.41 112.306 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 35.2 t80 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 71.41 110.932 -179.935 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.829 0.347 . . . . 74.34 110.944 . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -80.4 -41.61 11.35 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.756 -0.735 . . . . 65.53 112.476 179.937 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 61.83 69.73 0.62 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.743 0.306 . . . . 74.32 110.951 -179.871 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 15.0 tp60 59.37 80.28 0.2 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 61.24 110.901 -179.936 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.72 -35.83 33.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 74.13 110.879 -179.916 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 63.69 73.95 0.43 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 73.54 111.092 179.95 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.521 ' N ' ' HD2' ' A' ' 8' ' ' PRO . 0.2 OUTLIER -67.28 -58.99 7.92 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.644 0.735 . . . . 73.24 110.869 -179.924 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.521 ' HD2' ' N ' ' A' ' 7' ' ' PHE . 53.8 Cg_endo -69.76 167.73 23.61 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.665 2.243 . . . . 71.42 112.338 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 116.93 4.79 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.686 2.257 . . . . 73.33 112.351 179.938 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -179.49 89.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 63.51 110.941 -179.944 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -138.05 73.7 44.71 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.591 0.71 . . . . 71.53 110.869 -179.919 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 119.87 6.75 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.73 2.287 . . . . 51.44 112.366 179.942 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 16.2 t80 . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.231 -0.441 . . . . 73.12 110.946 -179.923 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.894 0.378 . . . . 74.52 110.912 . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -157.08 81.59 0.16 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.788 -0.72 . . . . 45.34 112.541 179.897 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 61.77 69.85 0.62 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.814 0.34 . . . . 74.51 110.924 -179.842 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 52.07 75.13 0.23 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 74.42 110.911 -179.947 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -50.68 -44.95 57.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 75.23 110.946 -179.958 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 63.81 74.01 0.43 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 71.3 111.124 179.911 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.519 ' N ' ' HD2' ' A' ' 8' ' ' PRO . 0.2 OUTLIER -67.25 -58.97 7.99 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.696 0.76 . . . . 73.12 110.903 -179.916 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.519 ' HD2' ' N ' ' A' ' 7' ' ' PHE . 53.5 Cg_endo -69.78 167.74 23.61 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.679 2.252 . . . . 52.52 112.325 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 107.25 1.82 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.657 2.238 . . . . 72.4 112.374 179.94 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -179.49 89.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 52.3 110.882 -179.952 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -52.16 160.57 1.19 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.607 0.718 . . . . 61.31 110.907 -179.974 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 160.11 50.92 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.675 2.25 . . . . 61.35 112.359 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 49.3 t80 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 74.55 110.899 -179.867 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.846 0.355 . . . . 54.31 110.893 . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -140.91 36.29 1.77 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.77 -0.729 . . . . 65.32 112.507 179.888 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 61.86 69.75 0.62 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.724 0.297 . . . . 61.4 110.899 -179.875 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 58.8 79.06 0.23 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 65.14 110.877 -179.977 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.76 -40.19 54.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 74.1 110.895 -179.931 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 63.89 73.92 0.43 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 74.33 111.091 179.877 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.511 ' N ' ' HD2' ' A' ' 8' ' ' PRO . 0.2 OUTLIER -67.32 -58.96 7.92 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.61 0.719 . . . . 74.33 110.866 -179.904 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.511 ' HD2' ' N ' ' A' ' 7' ' ' PHE . 53.6 Cg_endo -69.81 167.7 23.74 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.699 2.266 . . . . 75.01 112.339 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 142.1 47.09 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.67 2.247 . . . . 73.01 112.388 179.942 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 -179.49 89.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 74.22 110.965 -179.96 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -89.77 160.56 40.95 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.586 0.708 . . . . 72.24 110.92 -179.924 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 99.08 0.72 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.737 2.291 . . . . 62.24 112.344 179.981 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 16.0 t80 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 74.12 110.962 -179.94 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.851 0.358 . . . . 73.35 110.896 . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -168.33 -81.08 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.735 -0.745 . . . . 61.41 112.457 179.937 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 61.82 69.82 0.62 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.797 0.332 . . . . 75.1 110.909 -179.876 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.9 tp60 55.01 77.21 0.22 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 72.22 110.938 -179.944 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? -50.7 -40.8 54.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 63.23 110.894 -179.908 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 62.41 73.34 0.47 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 72.13 111.126 179.93 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.516 ' N ' ' HD2' ' A' ' 8' ' ' PRO . 0.1 OUTLIER -67.26 -58.94 8.03 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.664 0.745 . . . . 73.31 110.906 -179.914 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.516 ' HD2' ' N ' ' A' ' 7' ' ' PHE . 53.8 Cg_endo -69.77 167.75 23.55 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.667 2.245 . . . . 73.04 112.325 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 89.91 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.653 2.235 . . . . 75.02 112.382 179.91 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.1 tm0? -179.45 89.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 72.04 110.914 -179.963 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.46 160.58 28.85 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.614 0.721 . . . . 74.11 110.918 -179.972 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 114.31 3.67 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.614 2.209 . . . . 64.32 112.366 179.992 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 73.2 110.94 -179.905 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.891 0.377 . . . . 62.51 110.878 . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 138.35 88.19 0.19 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.778 -0.725 . . . . 63.44 112.516 179.902 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 61.82 69.77 0.62 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.756 0.312 . . . . 72.23 110.899 -179.868 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -174.17 76.71 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 72.03 110.904 -179.985 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.73 -55.24 17.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.438 . . . . 71.22 110.863 -179.927 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 62.45 73.37 0.47 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 74.13 111.089 179.92 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.521 ' N ' ' HD2' ' A' ' 8' ' ' PRO . 0.1 OUTLIER -67.28 -59.01 7.88 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.649 0.738 . . . . 72.11 110.868 -179.923 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.521 ' HD2' ' N ' ' A' ' 7' ' ' PHE . 53.7 Cg_endo -69.81 167.76 23.58 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.645 2.23 . . . . 64.3 112.333 -179.964 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 158.13 58.05 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.651 2.234 . . . . 53.25 112.37 179.978 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 51.92 78.58 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 31.53 110.906 -179.997 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -51.67 156.84 2.12 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.583 0.706 . . . . 73.43 110.906 -179.921 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 133.04 24.68 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.688 2.258 . . . . 63.11 112.358 -179.991 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 5.9 t80 . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.255 -0.43 . . . . 71.1 110.891 -179.895 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.821 0.343 . . . . 74.42 110.916 . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -155.67 -83.68 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.694 -0.765 . . . . 51.55 112.457 179.859 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 61.85 69.81 0.62 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.733 0.301 . . . . 73.53 110.899 -179.863 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 43.6 tp60 -174.17 67.77 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 75.41 110.897 -179.949 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -50.69 -31.69 17.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 72.04 110.934 -179.956 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 62.33 73.38 0.47 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 64.22 111.035 179.883 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.518 ' N ' ' HD2' ' A' ' 8' ' ' PRO . 0.1 OUTLIER -67.53 -58.94 7.68 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.591 0.71 . . . . 64.23 110.89 -179.946 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.518 ' HD2' ' N ' ' A' ' 7' ' ' PHE . 53.9 Cg_endo -69.8 167.08 25.51 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.664 2.242 . . . . 65.11 112.346 179.97 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 163.65 37.55 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.681 2.254 . . . . 71.33 112.302 -179.984 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 58.41 83.88 0.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 74.04 110.948 -179.975 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -51.76 160.54 1.06 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.531 0.682 . . . . 65.41 110.93 -179.921 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 90.19 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.66 2.24 . . . . 31.12 112.328 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 43.1 t80 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 62.32 110.901 -179.933 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.4 mp . . . . . 0 C--O 1.23 0.046 0 CA-C-O 120.843 0.354 . . . . 75.05 110.911 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -130.08 -73.24 0.13 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.748 -0.739 . . . . 40.33 112.528 179.896 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 61.83 69.72 0.62 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.725 0.297 . . . . 62.33 110.913 -179.925 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 57.81 79.49 0.2 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 74.32 110.889 -179.964 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? 179.42 -48.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 62.0 110.959 -179.962 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 63.8 73.97 0.43 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 51.35 111.104 179.882 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.51 ' N ' ' HD2' ' A' ' 8' ' ' PRO . 0.2 OUTLIER -67.3 -59.0 7.88 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.668 0.747 . . . . 64.42 110.884 -179.906 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 7' ' ' PHE . 54.1 Cg_endo -69.72 167.71 23.6 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.705 2.27 . . . . 71.33 112.348 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 146.92 61.69 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.709 2.273 . . . . 75.23 112.336 179.95 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -179.47 89.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 75.22 110.901 179.991 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -134.97 73.68 65.39 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.583 0.706 . . . . 65.44 110.949 -179.96 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 145.08 56.1 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.701 2.267 . . . . 62.31 112.343 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.8 t80 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 74.51 110.884 -179.91 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.83 0.348 . . . . 75.23 110.891 . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -80.64 -97.74 0.36 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.735 -0.745 . . . . 51.43 112.491 179.898 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 61.85 69.71 0.62 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.793 0.33 . . . . 74.23 110.914 -179.901 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 55.36 75.6 0.31 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 73.13 110.93 -179.949 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 179.08 93.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 64.22 110.915 -179.913 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 63.78 74.0 0.43 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 63.01 111.075 179.929 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.523 ' N ' ' HD2' ' A' ' 8' ' ' PRO . 0.1 OUTLIER -67.22 -58.97 8.02 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.673 0.749 . . . . 71.54 110.876 -179.948 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.523 ' HD2' ' N ' ' A' ' 7' ' ' PHE . 54.0 Cg_endo -69.81 167.72 23.69 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.693 2.262 . . . . 74.31 112.345 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 112.8 3.17 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.698 2.265 . . . . 70.44 112.328 179.963 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.8 tm0? -179.52 88.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 73.12 110.902 179.957 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 62.14 68.3 1.11 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.588 0.708 . . . . 75.23 110.938 -179.96 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 135.42 30.43 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.684 2.256 . . . . 75.41 112.306 -179.939 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 27.3 t80 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 74.23 110.887 -179.907 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 2.3 tt . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.804 0.335 . . . . 72.24 110.906 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -174.65 40.61 0.12 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.699 -0.762 . . . . 71.13 112.467 179.875 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 61.83 69.78 0.62 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.813 0.34 . . . . 72.13 110.945 -179.87 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 56.19 78.64 0.2 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 73.3 110.925 -179.923 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 179.46 -46.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 75.14 110.872 -179.936 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 63.82 73.99 0.43 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 74.12 111.066 179.913 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.516 ' N ' ' HD2' ' A' ' 8' ' ' PRO . 0.1 OUTLIER -67.3 -58.96 7.95 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.632 0.73 . . . . 71.14 110.854 -179.914 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.516 ' HD2' ' N ' ' A' ' 7' ' ' PHE . 54.1 Cg_endo -69.79 167.77 23.51 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.636 2.224 . . . . 71.23 112.38 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 158.16 57.84 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.675 2.25 . . . . 73.13 112.357 179.96 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -179.5 89.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.431 . . . . 64.4 110.917 -179.947 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.01 160.61 46.55 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.593 0.711 . . . . 72.43 110.964 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 169.24 19.46 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.687 2.258 . . . . 74.03 112.326 -179.996 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 9.8 t80 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 71.23 110.926 -179.894 . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.828 0.346 . . . . 71.45 110.924 . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -58.96 -59.15 11.31 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.752 -0.737 . . . . 74.34 112.502 179.907 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 61.86 69.69 0.62 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.708 0.29 . . . . 75.43 110.91 -179.917 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 36.0 tp60 59.68 81.2 0.18 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 74.11 110.921 -179.891 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.91 -33.52 24.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 73.21 110.958 179.996 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 63.73 73.99 0.43 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 62.41 111.126 179.947 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.511 ' N ' ' HD2' ' A' ' 8' ' ' PRO . 0.2 OUTLIER -67.27 -59.0 7.92 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.636 0.731 . . . . 62.13 110.881 -179.906 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.511 ' HD2' ' N ' ' A' ' 7' ' ' PHE . 54.2 Cg_endo -69.74 167.75 23.51 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.673 2.248 . . . . 73.32 112.344 -179.996 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 88.11 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.669 2.246 . . . . 61.12 112.333 179.976 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.4 tm0? -179.5 88.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 71.25 110.864 -179.984 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.13 160.57 30.6 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.591 0.71 . . . . 63.13 110.937 179.995 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 105.21 1.44 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.697 2.265 . . . . 52.12 112.35 -179.984 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 64.54 110.914 -179.917 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 5.6 mp . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.858 0.361 . . . . 74.3 110.885 . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -88.72 -99.85 0.98 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.749 -0.739 . . . . 64.12 112.488 179.888 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 61.75 69.83 0.62 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.78 0.324 . . . . 50.34 110.919 -179.861 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 18.6 tt0 -174.15 69.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 73.54 110.873 -179.955 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -50.74 -38.06 45.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 53.03 110.922 -179.977 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 63.75 74.0 0.43 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 30.55 111.116 179.92 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.511 ' N ' ' HD2' ' A' ' 8' ' ' PRO . 0.1 OUTLIER -67.29 -58.97 7.93 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.639 0.733 . . . . 64.31 110.868 -179.899 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.511 ' HD2' ' N ' ' A' ' 7' ' ' PHE . 53.9 Cg_endo -69.77 167.73 23.62 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.717 2.278 . . . . 72.13 112.32 -179.983 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 89.58 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.66 2.24 . . . . 65.11 112.358 179.931 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -179.49 90.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 65.45 110.907 -179.991 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.85 71.38 29.53 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.601 0.715 . . . . 73.15 110.93 -179.941 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 128.82 16.58 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.69 2.26 . . . . 74.5 112.346 179.997 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.474 . . . . 75.05 110.888 -179.876 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.035 0 CA-C-O 120.835 0.35 . . . . 74.42 110.919 . . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -86.64 -91.34 0.94 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.712 -0.756 . . . . 73.22 112.477 179.907 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 61.84 69.76 0.62 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.753 0.311 . . . . 65.33 110.969 -179.839 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 -174.15 68.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 73.01 110.901 -179.904 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.76 -31.67 17.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 73.24 110.939 -179.967 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 63.74 73.99 0.43 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 71.31 111.133 179.928 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.522 ' N ' ' HD2' ' A' ' 8' ' ' PRO . 0.2 OUTLIER -67.28 -58.96 7.97 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.608 0.718 . . . . 73.04 110.902 -179.92 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.522 ' HD2' ' N ' ' A' ' 7' ' ' PHE . 53.6 Cg_endo -69.8 167.74 23.62 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.682 2.255 . . . . 54.23 112.355 -179.989 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 102.59 1.04 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.706 2.271 . . . . 61.23 112.347 179.95 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -179.5 89.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 61.13 110.898 -179.996 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -169.48 71.93 0.69 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.558 0.694 . . . . 74.12 110.88 -179.953 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 90.95 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.674 2.249 . . . . 75.02 112.331 179.98 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 85.7 t80 . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.238 -0.437 . . . . 72.3 110.94 -179.953 . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 2.8 mp . . . . . 0 C--O 1.23 0.044 0 CA-C-O 120.889 0.376 . . . . 73.51 110.908 . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 78.79 51.08 5.64 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.76 -0.733 . . . . 61.52 112.506 179.92 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 61.86 69.73 0.62 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.721 0.296 . . . . 72.23 110.884 -179.887 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -174.15 75.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 65.51 110.891 -179.96 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.66 -38.57 47.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 60.22 110.906 -179.946 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 62.37 73.33 0.47 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 73.41 111.088 179.928 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.523 ' N ' ' HD2' ' A' ' 8' ' ' PRO . 0.2 OUTLIER -67.28 -58.95 7.98 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.682 0.753 . . . . 64.33 110.895 -179.906 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.523 ' HD2' ' N ' ' A' ' 7' ' ' PHE . 53.7 Cg_endo -69.78 167.74 23.59 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.703 2.269 . . . . 60.14 112.347 179.99 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 129.21 17.21 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.647 2.231 . . . . 54.51 112.349 179.935 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -179.52 90.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 71.41 110.925 179.991 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 57.06 69.01 1.81 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.535 0.683 . . . . 65.32 110.869 -179.94 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 108.85 2.17 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.655 2.237 . . . . 75.35 112.361 179.972 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 18.3 t80 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 75.52 110.924 -179.889 . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.049 0 CA-C-O 120.825 0.345 . . . . 75.21 110.934 . . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 101.27 -34.79 5.36 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.796 -0.716 . . . . 54.23 112.504 179.904 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 61.82 69.78 0.62 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.742 0.306 . . . . 73.2 110.921 -179.913 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -174.16 86.15 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 34.43 110.893 -179.944 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -50.67 -34.38 26.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 65.14 110.901 -179.948 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 63.84 73.99 0.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 60.14 111.096 179.945 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.52 ' N ' ' HD2' ' A' ' 8' ' ' PRO . 0.2 OUTLIER -67.24 -59.04 7.89 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.686 0.755 . . . . 75.41 110.883 -179.937 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.52 ' HD2' ' N ' ' A' ' 7' ' ' PHE . 53.4 Cg_endo -69.79 167.76 23.55 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.712 2.275 . . . . 72.03 112.32 -179.95 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 87.83 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.694 2.263 . . . . 72.35 112.369 179.981 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -179.47 88.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 65.42 110.929 -179.989 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -112.7 160.58 30.1 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.599 0.714 . . . . 72.02 110.951 -179.984 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 79.51 0.93 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.708 2.272 . . . . 73.41 112.336 -179.977 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 68.4 t80 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 73.43 110.916 -179.897 . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.035 0 CA-C-O 120.871 0.367 . . . . 75.12 110.912 . . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -170.43 -79.55 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.698 -0.763 . . . . 31.04 112.465 179.963 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 61.89 69.85 0.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.801 0.334 . . . . 60.31 110.891 -179.877 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -174.17 86.2 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 72.33 110.944 -179.995 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.7 -39.1 50.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 75.3 110.937 -179.948 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 63.8 73.99 0.43 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 63.33 111.123 179.895 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.512 ' N ' ' HD2' ' A' ' 8' ' ' PRO . 0.2 OUTLIER -67.32 -58.97 7.9 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.618 0.723 . . . . 72.24 110.867 -179.903 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.512 ' HD2' ' N ' ' A' ' 7' ' ' PHE . 53.9 Cg_endo -69.78 167.76 23.53 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.648 2.232 . . . . 64.12 112.381 -179.996 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 126.6 13.49 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.688 2.259 . . . . 52.24 112.346 179.959 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -179.57 89.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.447 . . . . 75.35 110.9 -179.978 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -59.96 160.61 15.13 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.581 0.705 . . . . 62.13 110.942 -179.926 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 127.36 14.47 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.701 2.267 . . . . 54.32 112.316 -179.993 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 77.5 t80 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 75.2 110.955 -179.948 . . . . . . . . 0 0 . 1 . 037 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.877 0.37 . . . . 64.32 110.95 . . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 167.44 -47.83 0.25 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.771 -0.728 . . . . 61.53 112.486 179.902 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 61.82 69.8 0.62 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.836 0.35 . . . . 72.14 110.916 -179.874 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 58.84 75.54 0.39 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 74.3 110.898 -179.973 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 179.43 -42.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 51.04 110.924 -179.935 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 62.44 73.44 0.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 65.23 111.052 179.902 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.52 ' N ' ' HD2' ' A' ' 8' ' ' PRO . 0.1 OUTLIER -67.31 -59.02 7.83 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.681 0.753 . . . . 72.13 110.842 -179.913 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.52 ' HD2' ' N ' ' A' ' 7' ' ' PHE . 53.5 Cg_endo -69.72 167.75 23.47 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.706 2.27 . . . . 72.3 112.339 -179.986 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 87.97 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.646 2.231 . . . . 74.1 112.358 179.942 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.9 tm0? -179.49 90.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 72.24 110.915 -179.996 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.0 pm0 -51.66 156.84 2.11 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.569 0.7 . . . . 74.12 110.911 -179.924 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 107.45 1.86 Allowed 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.642 2.228 . . . . 73.23 112.336 -179.978 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.2 t80 . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.25 -0.432 . . . . 70.51 110.905 -179.892 . . . . . . . . 0 0 . 1 . 038 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.883 0.373 . . . . 72.32 110.917 . . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -104.98 52.77 0.7 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.735 -0.745 . . . . 74.21 112.503 179.888 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 61.86 69.71 0.62 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.751 0.31 . . . . 64.1 110.894 -179.904 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 38.3 tt0 -174.11 73.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 53.41 110.891 -179.99 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 179.38 -53.89 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 73.5 110.92 -179.907 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 62.32 73.31 0.47 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 45.04 111.149 179.96 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.521 ' N ' ' HD2' ' A' ' 8' ' ' PRO . 0.2 OUTLIER -67.22 -59.0 7.97 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.661 0.743 . . . . 73.24 110.893 -179.922 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.521 ' HD2' ' N ' ' A' ' 7' ' ' PHE . 54.0 Cg_endo -69.75 167.76 23.48 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.639 2.226 . . . . 65.34 112.378 179.987 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 158.95 55.17 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.665 2.243 . . . . 65.22 112.329 179.972 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -179.49 89.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 73.13 110.887 -179.969 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -136.99 69.24 57.54 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.57 0.7 . . . . 74.33 110.892 -179.935 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 94.32 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.662 2.242 . . . . 72.24 112.39 179.966 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 4.5 t80 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 62.43 110.953 -179.909 . . . . . . . . 0 0 . 1 . 039 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.865 0.364 . . . . 72.43 110.919 . . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 148.18 -59.48 0.46 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.783 -0.722 . . . . 71.21 112.522 179.918 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 61.77 69.85 0.62 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.785 0.326 . . . . 64.14 110.887 -179.874 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -174.16 75.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 63.31 110.909 -179.939 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 179.08 93.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 43.34 110.899 -179.96 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 63.85 73.91 0.43 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 63.22 111.108 179.921 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.519 ' N ' ' HD2' ' A' ' 8' ' ' PRO . 0.1 OUTLIER -67.25 -58.96 8.01 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.638 0.732 . . . . 71.23 110.904 -179.907 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.519 ' HD2' ' N ' ' A' ' 7' ' ' PHE . 53.5 Cg_endo -69.71 167.73 23.54 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.732 2.288 . . . . 73.34 112.303 179.981 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 103.96 1.25 Allowed 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.64 2.226 . . . . 65.04 112.38 179.923 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -179.49 89.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 72.02 110.917 -179.959 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -146.92 73.05 12.35 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.631 0.729 . . . . 74.13 110.915 -179.982 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 94.1 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.735 2.29 . . . . 75.34 112.317 -179.962 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 71.42 110.897 -179.892 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.041 0 CA-C-O 120.852 0.358 . . . . 73.45 110.935 . . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -111.01 -42.69 1.07 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.77 -0.729 . . . . 33.22 112.512 179.903 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 61.82 69.81 0.62 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.723 0.297 . . . . 75.42 110.875 -179.902 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 69.8 tp60 -174.2 85.27 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.448 . . . . 73.24 110.909 -179.973 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 179.07 93.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 72.13 110.868 -179.984 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 63.83 74.0 0.43 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 64.42 111.117 179.93 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.519 ' N ' ' HD2' ' A' ' 8' ' ' PRO . 0.1 OUTLIER -67.31 -59.0 7.86 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.676 0.751 . . . . 72.4 110.878 -179.91 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.519 ' HD2' ' N ' ' A' ' 7' ' ' PHE . 54.2 Cg_endo -69.72 167.72 23.57 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.649 2.233 . . . . 72.34 112.383 179.988 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 111.5 2.83 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.681 2.254 . . . . 74.51 112.304 179.951 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -179.49 89.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 71.32 110.931 179.961 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -86.45 160.59 50.66 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.615 0.721 . . . . 73.22 110.866 -179.916 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 107.46 1.87 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.663 2.242 . . . . 74.04 112.364 179.999 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 75.35 110.889 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.837 0.351 . . . . 70.540000000000006 110.918 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -148.91 -71.0 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.743 -0.742 . . . . 75.200000000000003 112.472 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 61.76 69.79 0.62 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.777 0.322 . . . . 71.209999999999994 110.906 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -174.16 64.84 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 73.519999999999996 110.912 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.7 -34.38 26.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 73.230000000000004 110.948 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 63.84 74.01 0.43 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 73.109999999999999 111.047 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.515 ' N ' ' HD2' ' A' ' 8' ' ' PRO . 0.2 OUTLIER -67.31 -58.97 7.92 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.649 0.738 . . . . 72.129999999999995 110.855 -179.919 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.515 ' HD2' ' N ' ' A' ' 7' ' ' PHE . 53.0 Cg_endo -69.8 167.79 23.46 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.648 2.232 . . . . 71.120000000000005 112.349 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 110.25 2.52 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.661 2.24 . . . . 70.340000000000003 112.316 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -179.56 89.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 71.219999999999999 110.925 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -157.99 72.13 4.1 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.583 0.706 . . . . 61.149999999999999 110.929 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 116.83 4.74 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.676 2.25 . . . . 64.239999999999995 112.362 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 75.400000000000006 110.91 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.7 tt . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.791 0.329 . . . . 75.310000000000002 110.94 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 173.39 -53.32 0.16 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.75 -0.738 . . . . 63.310000000000002 112.483 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 61.83 69.76 0.62 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.791 0.329 . . . . 72.310000000000002 110.96 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -174.14 69.21 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 73.510000000000005 110.903 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.77 -46.85 59.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 74.109999999999999 110.869 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 62.41 73.32 0.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 74.409999999999997 111.077 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.467 ' HB2' ' HD2' ' A' ' 8' ' ' PRO . 2.9 p90 -51.71 159.43 1.3 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.659 0.743 . . . . 74.409999999999997 110.875 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.467 ' HD2' ' HB2' ' A' ' 7' ' ' PHE . 53.7 Cg_endo -69.74 167.72 23.6 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.65 2.233 . . . . 75.150000000000006 112.344 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 160.58 49.19 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.685 2.257 . . . . 73.230000000000004 112.348 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 51.92 78.59 0.12 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 74.129999999999995 110.911 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -173.69 70.38 0.35 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.613 0.72 . . . . 53.409999999999997 110.919 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 139.92 41.66 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.704 2.269 . . . . 70.420000000000002 112.349 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 18.3 t80 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 65.230000000000004 110.921 -179.916 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.526 0.03 0 CA-C-O 120.862 0.363 . . . . 51.140000000000001 110.885 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -163.54 35.76 0.31 Allowed Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.672 -0.775 . . . . 62.340000000000003 112.433 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 61.83 69.82 0.62 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.744 0.307 . . . . 44.119999999999997 110.906 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 42.9 tp60 -174.23 83.61 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 74.239999999999995 110.897 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 179.66 34.55 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 71.219999999999999 110.888 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 62.4 73.39 0.47 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.239 -0.437 . . . . 72.310000000000002 111.124 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.434 ' HB2' ' HD2' ' A' ' 8' ' ' PRO . 1.5 p90 -51.73 156.9 2.14 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.664 0.745 . . . . 73.0 110.853 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.434 ' HD2' ' HB2' ' A' ' 7' ' ' PHE . 53.8 Cg_endo -69.8 167.71 23.72 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.73 2.287 . . . . 71.329999999999998 112.333 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 98.27 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.669 2.246 . . . . 63.130000000000003 112.381 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 51.95 78.61 0.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 63.340000000000003 110.889 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -169.48 71.04 0.68 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.628 0.728 . . . . 71.540000000000006 110.945 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 132.91 24.4 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.686 2.258 . . . . 70.329999999999998 112.35 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.2 t80 . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.251 -0.432 . . . . 72.420000000000002 110.871 -179.887 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 6.5 mp . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.826 0.346 . . . . 74.329999999999998 110.924 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 176.3 -80.39 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.743 -0.741 . . . . 61.130000000000003 112.48 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 61.85 69.72 0.62 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.757 0.313 . . . . 75.340000000000003 110.931 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 58.26 79.37 0.21 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 65.230000000000004 110.902 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -50.61 -31.59 16.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 44.439999999999998 110.965 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 63.79 73.96 0.43 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 74.510000000000005 111.07 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.452 ' HB2' ' HD2' ' A' ' 8' ' ' PRO . 1.6 p90 -51.79 156.83 2.22 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.676 0.751 . . . . 71.040000000000006 110.909 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.452 ' HD2' ' HB2' ' A' ' 7' ' ' PHE . 54.0 Cg_endo -69.7 167.75 23.46 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.681 2.254 . . . . 61.219999999999999 112.351 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 129.12 17.01 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.656 2.237 . . . . 63.539999999999999 112.35 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -179.49 89.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 75.209999999999994 110.907 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 59.59 69.06 1.36 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.605 0.717 . . . . 74.129999999999995 110.9 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 116.75 4.71 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.712 2.274 . . . . 70.530000000000001 112.33 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.221 -0.445 . . . . 73.329999999999998 110.955 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.886 0.374 . . . . 73.530000000000001 110.945 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -98.64 -35.42 4.91 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.818 -0.706 . . . . 64.430000000000007 112.523 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 61.82 69.78 0.62 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.737 0.303 . . . . 72.140000000000001 110.917 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -174.18 69.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 72.310000000000002 110.883 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 51.54 48.17 23.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 62.039999999999999 110.915 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 63.8 73.99 0.43 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 73.409999999999997 111.108 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.453 ' HB2' ' HD2' ' A' ' 8' ' ' PRO . 1.6 p90 -51.71 156.89 2.13 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.66 0.743 . . . . 64.109999999999999 110.914 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.453 ' HD2' ' HB2' ' A' ' 7' ' ' PHE . 53.1 Cg_endo -69.81 167.75 23.62 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.616 2.211 . . . . 64.230000000000004 112.37 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 159.01 55.04 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.656 2.238 . . . . 72.329999999999998 112.351 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -179.53 89.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 71.200000000000003 110.939 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -165.86 73.04 1.29 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.566 0.698 . . . . 74.310000000000002 110.904 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 86.85 0.58 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.653 2.235 . . . . 71.219999999999999 112.348 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 9.9 t80 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 73.030000000000001 110.895 -179.887 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 5.9 mp . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.874 0.369 . . . . 52.130000000000003 110.914 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -167.76 82.43 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.751 -0.738 . . . . 65.129999999999995 112.451 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 61.86 69.71 0.62 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.772 0.32 . . . . 74.549999999999997 110.919 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -174.17 74.27 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 72.299999999999997 110.896 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.71 -53.84 28.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 73.310000000000002 110.903 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 63.81 73.95 0.43 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 53.109999999999999 111.13 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.446 ' HB2' ' HD2' ' A' ' 8' ' ' PRO . 1.5 p90 -51.77 156.87 2.18 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.687 0.756 . . . . 75.340000000000003 110.856 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.446 ' HD2' ' HB2' ' A' ' 7' ' ' PHE . 54.1 Cg_endo -69.73 167.76 23.48 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.673 2.249 . . . . 73.319999999999993 112.371 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 148.81 65.66 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.664 2.242 . . . . 74.409999999999997 112.335 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -179.52 89.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 63.130000000000003 110.932 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -136.4 73.73 55.73 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.605 0.716 . . . . 65.329999999999998 110.876 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 139.45 39.98 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.642 2.228 . . . . 71.230000000000004 112.337 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.4 t80 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 71.019999999999996 110.878 -179.856 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 8.4 mp . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.849 0.357 . . . . 71.540000000000006 110.915 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -65.66 -86.54 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.744 -0.741 . . . . 43.32 112.451 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 61.82 69.8 0.62 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.753 0.311 . . . . 60.020000000000003 110.901 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -174.18 76.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 62.229999999999997 110.918 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.65 -61.27 2.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 65.540000000000006 110.933 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 63.86 73.94 0.43 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 45.130000000000003 111.105 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.454 ' HB2' ' HD2' ' A' ' 8' ' ' PRO . 1.5 p90 -51.77 156.85 2.19 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.689 0.757 . . . . 71.200000000000003 110.873 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.454 ' HD2' ' HB2' ' A' ' 7' ' ' PHE . 53.4 Cg_endo -69.71 167.72 23.56 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.709 2.272 . . . . 74.030000000000001 112.32 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 153.93 68.36 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.637 2.225 . . . . 72.450000000000003 112.396 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -179.5 89.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 73.25 110.929 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -67.91 160.6 73.04 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.571 0.7 . . . . 51.32 110.925 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 120.68 7.41 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.683 2.255 . . . . 62.539999999999999 112.335 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 59.1 t80 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 71.349999999999994 110.929 -179.888 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 4.5 mp . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.839 0.352 . . . . 74.530000000000001 110.908 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -163.29 83.38 0.11 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.747 -0.739 . . . . 62.229999999999997 112.486 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 61.84 69.75 0.62 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.748 0.309 . . . . 74.120000000000005 110.893 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -174.16 75.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 75.540000000000006 110.933 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -50.67 -31.61 16.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 74.049999999999997 110.871 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 63.8 74.05 0.43 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 43.340000000000003 111.103 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.453 ' HB2' ' HD2' ' A' ' 8' ' ' PRO . 1.5 p90 -51.79 156.89 2.19 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.63 0.729 . . . . 72.349999999999994 110.895 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.453 ' HD2' ' HB2' ' A' ' 7' ' ' PHE . 54.1 Cg_endo -69.81 167.74 23.65 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.677 2.251 . . . . 61.43 112.372 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 147.8 63.62 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.694 2.262 . . . . 65.109999999999999 112.312 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -179.51 89.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 75.230000000000004 110.909 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -157.64 72.95 4.28 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.614 0.721 . . . . 72.230000000000004 110.931 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 98.06 0.66 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.721 2.28 . . . . 75.129999999999995 112.345 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 77.4 t80 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.439 . . . . 74.129999999999995 110.911 -179.895 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.826 0.346 . . . . 72.409999999999997 110.923 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 78.77 46.68 8.37 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.798 -0.715 . . . . 64.230000000000004 112.457 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 61.81 69.79 0.62 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.741 0.305 . . . . 72.310000000000002 110.887 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -174.2 83.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 63.109999999999999 110.867 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 179.43 -39.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 63.450000000000003 110.88 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 63.81 73.99 0.43 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 71.109999999999999 111.089 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.436 ' HB2' ' HD2' ' A' ' 8' ' ' PRO . 1.7 p90 -51.73 156.85 2.16 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.646 0.736 . . . . 71.049999999999997 110.885 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.436 ' HD2' ' HB2' ' A' ' 7' ' ' PHE . 54.0 Cg_endo -69.8 167.75 23.59 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.651 2.234 . . . . 71.209999999999994 112.336 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 136.22 32.35 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.669 2.246 . . . . 61.25 112.346 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -179.46 89.56 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 73.150000000000006 110.877 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -159.62 68.38 3.06 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.592 0.71 . . . . 74.129999999999995 110.954 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 135.81 31.44 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.678 2.252 . . . . 74.25 112.329 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 116.257 -0.429 . . . . 65.209999999999994 110.899 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.857 0.36 . . . . 73.409999999999997 110.944 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -82.79 -51.3 4.31 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.779 -0.724 . . . . 53.25 112.451 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 61.8 69.75 0.62 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.793 0.33 . . . . 73.140000000000001 110.923 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.475 HE21 ' HB2' ' A' ' 6' ' ' ALA . 1.4 tt0 -174.13 64.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 73.409999999999997 110.922 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -51.03 -36.51 40.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 54.109999999999999 110.894 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.475 ' HB2' HE21 ' A' ' 4' ' ' GLN . . . 62.43 73.41 0.47 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 72.099999999999994 111.09 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.445 ' HB2' ' HD2' ' A' ' 8' ' ' PRO . 1.6 p90 -51.83 156.89 2.22 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.639 0.733 . . . . 72.409999999999997 110.892 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.445 ' HD2' ' HB2' ' A' ' 7' ' ' PHE . 53.6 Cg_endo -69.78 167.76 23.53 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.663 2.242 . . . . 75.209999999999994 112.317 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 160.53 49.35 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.694 2.262 . . . . 75.150000000000006 112.344 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -179.48 89.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 74.540000000000006 110.909 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -137.28 73.68 49.99 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.605 0.717 . . . . 72.239999999999995 110.905 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 165.96 29.32 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.65 2.233 . . . . 63.43 112.336 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 9.5 t80 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 74.319999999999993 110.958 -179.909 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.6 mp . . . . . 0 CA--C 1.526 0.046 0 CA-C-O 120.844 0.354 . . . . 75.0 110.903 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -152.09 48.08 0.55 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.684 -0.769 . . . . 71.400000000000006 112.468 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 61.76 69.81 0.62 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.804 0.335 . . . . 71.420000000000002 110.956 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -174.17 72.13 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 72.329999999999998 110.942 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 179.46 -36.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 74.209999999999994 110.913 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 63.83 73.99 0.43 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 73.209999999999994 111.109 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.457 ' HB2' ' HD2' ' A' ' 8' ' ' PRO . 1.6 p90 -51.75 156.83 2.19 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.671 0.748 . . . . 75.239999999999995 110.874 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.457 ' HD2' ' HB2' ' A' ' 7' ' ' PHE . 53.5 Cg_endo -69.76 167.75 23.55 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.673 2.249 . . . . 45.420000000000002 112.338 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 121.28 7.97 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.691 2.261 . . . . 65.109999999999999 112.365 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -179.53 89.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 74.430000000000007 110.887 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -113.54 157.7 40.69 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.572 0.701 . . . . 75.019999999999996 110.92 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 141.44 45.38 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.674 2.25 . . . . 61.310000000000002 112.351 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.7 t80 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 73.340000000000003 110.902 -179.902 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.864 0.364 . . . . 72.200000000000003 110.927 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 88.62 38.79 6.9 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.764 -0.732 . . . . 73.420000000000002 112.513 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 61.86 69.83 0.62 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.761 0.315 . . . . 74.0 110.856 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -174.19 67.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 74.409999999999997 110.931 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -51.09 -30.42 15.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 71.099999999999994 110.931 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 63.73 74.13 0.42 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 52.310000000000002 111.099 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.463 ' HB2' ' HD2' ' A' ' 8' ' ' PRO . 1.6 p90 -51.79 156.85 2.21 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.669 0.747 . . . . 71.200000000000003 110.858 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.463 ' HD2' ' HB2' ' A' ' 7' ' ' PHE . 53.5 Cg_endo -69.77 167.73 23.6 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.66 2.24 . . . . 70.109999999999999 112.379 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 109.89 2.42 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.676 2.251 . . . . 75.319999999999993 112.32 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -144.04 72.14 1.34 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 71.299999999999997 110.904 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -139.91 73.64 33.05 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.581 0.705 . . . . 74.019999999999996 110.895 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 121.24 7.93 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.685 2.256 . . . . 73.200000000000003 112.356 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 9.2 t80 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 75.209999999999994 110.921 -179.914 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.047 0 CA-C-O 120.807 0.337 . . . . 53.240000000000002 110.934 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 141.77 103.83 0.51 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.682 -0.77 . . . . 60.020000000000003 112.457 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 61.88 69.73 0.62 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.77 0.319 . . . . 74.329999999999998 110.898 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -174.11 65.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 74.420000000000002 110.893 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 51.54 55.22 9.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 74.519999999999996 110.933 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 178.78 77.69 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 64.230000000000004 111.094 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.461 ' HB2' ' HD2' ' A' ' 8' ' ' PRO . 2.0 p90 -51.74 156.89 2.15 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.665 0.745 . . . . 73.319999999999993 110.866 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.461 ' HD2' ' HB2' ' A' ' 7' ' ' PHE . 53.3 Cg_endo -69.8 167.79 23.48 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.679 2.252 . . . . 74.430000000000007 112.326 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 133.57 25.84 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.648 2.232 . . . . 64.519999999999996 112.349 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -179.52 89.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 70.109999999999999 110.889 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.67 160.56 82.27 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.575 0.703 . . . . 53.039999999999999 110.945 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 145.02 56.24 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.699 2.266 . . . . 62.039999999999999 112.354 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.1 t80 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.268 -0.423 . . . . 74.109999999999999 110.923 -179.937 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.889 0.376 . . . . 55.219999999999999 110.931 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 151.81 75.07 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.751 -0.738 . . . . 52.32 112.475 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 61.84 69.78 0.62 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.774 0.321 . . . . 74.329999999999998 110.934 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -174.18 72.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 65.310000000000002 110.925 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.401 ' O ' ' HB2' ' A' ' 6' ' ' ALA . 0.8 OUTLIER -50.72 -48.97 58.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 73.239999999999995 110.895 -179.932 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.401 ' HB2' ' O ' ' A' ' 5' ' ' GLN . . . 178.76 80.04 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 52.549999999999997 111.124 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.452 ' HB2' ' HD2' ' A' ' 8' ' ' PRO . 1.5 p90 -51.68 156.84 2.13 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.69 0.757 . . . . 62.009999999999998 110.857 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.452 ' HD2' ' HB2' ' A' ' 7' ' ' PHE . 54.4 Cg_endo -69.67 167.72 23.51 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.7 2.267 . . . . 75.420000000000002 112.364 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 136.49 33.06 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.68 2.253 . . . . 71.25 112.355 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -179.49 89.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 61.509999999999998 110.911 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -100.82 160.59 26.34 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.617 0.722 . . . . 63.420000000000002 110.865 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 156.47 63.4 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.691 2.26 . . . . 61.520000000000003 112.364 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 11.4 t80 . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.233 -0.439 . . . . 74.340000000000003 110.921 -179.919 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.845 0.355 . . . . 62.240000000000002 110.92 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 130.57 98.32 0.8 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.731 -0.747 . . . . 72.329999999999998 112.516 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 61.83 69.83 0.62 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.789 0.328 . . . . 65.420000000000002 110.925 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -174.21 84.76 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 73.010000000000005 110.916 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.403 ' O ' ' HB2' ' A' ' 6' ' ' ALA . 0.0 OUTLIER 179.47 -37.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 75.519999999999996 110.926 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.403 ' HB2' ' O ' ' A' ' 5' ' ' GLN . . . 178.74 77.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 54.210000000000001 111.079 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.445 ' HB2' ' HD2' ' A' ' 8' ' ' PRO . 1.9 p90 -51.76 156.87 2.18 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.655 0.741 . . . . 75.420000000000002 110.864 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.445 ' HD2' ' HB2' ' A' ' 7' ' ' PHE . 53.6 Cg_endo -69.83 167.75 23.62 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.699 2.266 . . . . 74.349999999999994 112.322 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 124.12 10.77 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.697 2.265 . . . . 64.310000000000002 112.327 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -179.54 89.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 75.140000000000001 110.856 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -160.89 70.03 2.68 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.594 0.712 . . . . 61.329999999999998 110.947 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 156.0 64.51 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.614 2.209 . . . . 70.540000000000006 112.357 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 69.6 t80 . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.225 -0.443 . . . . 74.450000000000003 110.956 -179.926 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.881 0.372 . . . . 73.430000000000007 110.921 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 80.79 66.99 1.58 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.731 -0.747 . . . . 73.439999999999998 112.549 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 61.93 69.78 0.62 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.741 0.305 . . . . 54.210000000000001 110.909 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -88.65 49.55 1.81 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 73.140000000000001 110.913 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -50.7 -44.14 57.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 64.319999999999993 110.878 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 63.86 74.02 0.42 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.447 . . . . 73.230000000000004 111.067 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.465 ' HB2' ' HD2' ' A' ' 8' ' ' PRO . 2.9 p90 -51.65 159.46 1.27 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.666 0.745 . . . . 71.450000000000003 110.862 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.465 ' HD2' ' HB2' ' A' ' 7' ' ' PHE . 53.8 Cg_endo -69.82 167.72 23.69 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.69 2.26 . . . . 74.409999999999997 112.345 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 116.78 4.71 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.704 2.269 . . . . 53.0 112.307 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -179.55 89.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 72.519999999999996 110.942 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -70.52 160.61 80.86 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.557 0.694 . . . . 71.549999999999997 110.908 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 108.53 2.1 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.684 2.256 . . . . 64.329999999999998 112.311 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 62.1 t80 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 75.310000000000002 110.922 -179.944 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.7 mp . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.836 0.35 . . . . 64.200000000000003 110.914 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -172.68 74.63 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.757 -0.735 . . . . 74.040000000000006 112.498 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 61.81 69.8 0.62 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.727 0.299 . . . . 63.030000000000001 110.884 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 56.11 78.63 0.2 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 64.319999999999993 110.92 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -50.95 -38.55 51.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 72.430000000000007 110.902 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 63.82 73.99 0.43 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 73.239999999999995 111.094 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.458 ' HB2' ' HD2' ' A' ' 8' ' ' PRO . 1.5 p90 -51.69 156.84 2.13 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.651 0.738 . . . . 72.109999999999999 110.86 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.458 ' HD2' ' HB2' ' A' ' 7' ' ' PHE . 53.6 Cg_endo -69.77 167.74 23.59 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.685 2.257 . . . . 70.349999999999994 112.355 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 10' ' ' GLN . 53.4 Cg_endo -69.75 110.66 2.61 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.689 2.26 . . . . 74.530000000000001 112.315 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.413 ' C ' ' O ' ' A' ' 9' ' ' PRO . 12.9 pt20 37.13 66.3 0.44 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 75.409999999999997 110.947 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -147.7 160.59 38.01 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.593 0.711 . . . . 74.010000000000005 110.927 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 152.47 69.28 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.687 2.258 . . . . 31.550000000000001 112.36 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 57.3 t80 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 73.510000000000005 110.864 -179.902 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.858 0.361 . . . . 72.129999999999995 110.899 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 139.66 53.45 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.777 -0.725 . . . . 40.420000000000002 112.531 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 61.8 69.75 0.62 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.775 0.321 . . . . 62.219999999999999 110.968 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 7.7 tp60 -174.15 84.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 73.140000000000001 110.941 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.411 ' O ' ' HB2' ' A' ' 6' ' ' ALA . 2.0 tm0? 179.1 93.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 74.329999999999998 110.904 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.411 ' HB2' ' O ' ' A' ' 5' ' ' GLN . . . 178.74 78.86 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 75.129999999999995 111.123 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.456 ' HB2' ' HD2' ' A' ' 8' ' ' PRO . 1.8 p90 -51.76 156.84 2.19 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.665 0.745 . . . . 74.140000000000001 110.873 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.456 ' HD2' ' HB2' ' A' ' 7' ' ' PHE . 52.9 Cg_endo -69.76 167.72 23.62 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.72 2.28 . . . . 64.239999999999995 112.337 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 147.71 63.6 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.686 2.257 . . . . 63.210000000000001 112.323 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -179.48 88.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 75.219999999999999 110.892 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -51.61 156.84 2.07 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.559 0.695 . . . . 64.409999999999997 110.932 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 100.29 0.82 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.667 2.245 . . . . 71.510000000000005 112.359 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 15.2 t80 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 75.150000000000006 110.931 -179.903 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.926 0.393 . . . . 70.340000000000003 110.929 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -96.85 -38.66 4.33 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.761 -0.733 . . . . 64.519999999999996 112.5 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 61.86 69.76 0.62 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.733 0.302 . . . . 71.430000000000007 110.855 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -174.15 71.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 74.129999999999995 110.9 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.404 ' O ' ' HB2' ' A' ' 6' ' ' ALA . 0.9 OUTLIER 51.67 80.23 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 53.399999999999999 110.905 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.404 ' HB2' ' O ' ' A' ' 5' ' ' GLN . . . 178.74 81.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 75.420000000000002 111.131 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.438 ' HB2' ' HD2' ' A' ' 8' ' ' PRO . 0.5 OUTLIER -149.26 158.33 38.54 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.617 0.722 . . . . 71.219999999999999 110.857 -179.861 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.438 ' HD2' ' HB2' ' A' ' 7' ' ' PHE . 53.7 Cg_endo -69.76 167.74 23.56 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.658 2.238 . . . . 53.509999999999998 112.359 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 115.52 4.13 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.699 2.266 . . . . 73.209999999999994 112.343 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -179.51 89.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 72.430000000000007 110.91 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -113.76 73.55 2.24 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.593 0.711 . . . . 73.129999999999995 110.931 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 101.54 0.93 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.677 2.252 . . . . 71.209999999999994 112.3 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.8 t80 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 75.450000000000003 110.926 -179.931 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.2 mp . . . . . 0 C--O 1.229 0.023 0 CA-C-O 120.898 0.38 . . . . 70.030000000000001 110.934 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 175.31 -45.79 0.13 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.7 -0.762 . . . . 54.310000000000002 112.475 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 61.76 69.79 0.62 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.78 0.324 . . . . 73.510000000000005 110.933 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -174.15 80.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 75.319999999999993 110.93 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 179.58 34.6 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 61.409999999999997 110.938 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 63.79 73.94 0.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 71.099999999999994 111.121 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.45 ' HB2' ' HD2' ' A' ' 8' ' ' PRO . 7.2 p90 -51.68 156.87 2.11 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.599 0.714 . . . . 74.120000000000005 110.895 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.45 ' HD2' ' HB2' ' A' ' 7' ' ' PHE . 53.7 Cg_endo -69.79 112.3 3.05 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.636 2.224 . . . . 62.240000000000002 112.336 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.435 ' HD2' ' HA ' ' A' ' 8' ' ' PRO . 54.1 Cg_endo -69.76 109.57 2.34 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.722 2.281 . . . . 74.439999999999998 112.322 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.4 tm0? -179.52 89.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 74.120000000000005 110.883 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -113.53 157.69 40.7 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.598 0.713 . . . . 74.120000000000005 110.894 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 139.04 39.15 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.67 2.247 . . . . 61.43 112.34 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 40.7 t80 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 75.519999999999996 110.952 -179.907 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 4.5 mp . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.829 0.347 . . . . 64.450000000000003 110.906 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 168.31 -67.36 0.18 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.801 -0.714 . . . . 54.539999999999999 112.514 179.889 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 61.74 69.81 0.62 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.781 0.324 . . . . 71.040000000000006 110.935 -179.877 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -174.17 78.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 72.409999999999997 110.959 -179.949 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -50.67 -41.99 56.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 73.430000000000007 110.897 -179.899 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 63.77 74.05 0.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 74.25 111.111 179.955 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.466 ' HB2' ' HD2' ' A' ' 8' ' ' PRO . 2.9 p90 -51.79 156.9 2.19 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.66 0.743 . . . . 75.439999999999998 110.847 -179.929 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.466 ' HD2' ' HB2' ' A' ' 7' ' ' PHE . 53.9 Cg_endo -69.79 112.29 3.04 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.672 2.248 . . . . 72.120000000000005 112.336 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.452 ' HD2' ' HA ' ' A' ' 8' ' ' PRO . 53.6 Cg_endo -69.8 135.05 29.4 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.692 2.262 . . . . 74.219999999999999 112.337 179.956 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -144.07 72.74 1.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 72.409999999999997 110.981 179.993 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -154.97 73.36 5.73 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.559 0.695 . . . . 75.329999999999998 110.882 -179.914 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 127.6 14.8 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.681 2.254 . . . . 54.409999999999997 112.306 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 35.2 t80 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 71.409999999999997 110.932 -179.935 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.829 0.347 . . . . 74.340000000000003 110.944 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -80.4 -41.61 11.35 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.756 -0.735 . . . . 65.530000000000001 112.476 179.937 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 61.83 69.73 0.62 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.743 0.306 . . . . 74.319999999999993 110.951 -179.871 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 15.0 tp60 59.37 80.28 0.2 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 61.240000000000002 110.901 -179.936 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.72 -35.83 33.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 74.129999999999995 110.879 -179.916 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 63.69 73.95 0.43 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 73.540000000000006 111.092 179.95 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.521 ' N ' ' HD2' ' A' ' 8' ' ' PRO . 0.2 OUTLIER -67.28 -58.99 7.92 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.644 0.735 . . . . 73.239999999999995 110.869 -179.924 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.521 ' HD2' ' N ' ' A' ' 7' ' ' PHE . 53.8 Cg_endo -69.76 167.73 23.61 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.665 2.243 . . . . 71.420000000000002 112.338 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 116.93 4.79 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.686 2.257 . . . . 73.329999999999998 112.351 179.938 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -179.49 89.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 63.509999999999998 110.941 -179.944 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -138.05 73.7 44.71 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.591 0.71 . . . . 71.530000000000001 110.869 -179.919 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 119.87 6.75 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.73 2.287 . . . . 51.439999999999998 112.366 179.942 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 16.2 t80 . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.231 -0.441 . . . . 73.120000000000005 110.946 -179.923 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.894 0.378 . . . . 74.519999999999996 110.912 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -157.08 81.59 0.16 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.788 -0.72 . . . . 45.340000000000003 112.541 179.897 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 61.77 69.85 0.62 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.814 0.34 . . . . 74.510000000000005 110.924 -179.842 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 52.07 75.13 0.23 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 74.420000000000002 110.911 -179.947 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -50.68 -44.95 57.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 75.230000000000004 110.946 -179.958 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 63.81 74.01 0.43 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 71.299999999999997 111.124 179.911 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.519 ' N ' ' HD2' ' A' ' 8' ' ' PRO . 0.2 OUTLIER -67.25 -58.97 7.99 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.696 0.76 . . . . 73.120000000000005 110.903 -179.916 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.519 ' HD2' ' N ' ' A' ' 7' ' ' PHE . 53.5 Cg_endo -69.78 167.74 23.61 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.679 2.252 . . . . 52.520000000000003 112.325 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 107.25 1.82 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.657 2.238 . . . . 72.400000000000006 112.374 179.94 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -179.49 89.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 52.299999999999997 110.882 -179.952 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -52.16 160.57 1.19 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.607 0.718 . . . . 61.310000000000002 110.907 -179.974 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 160.11 50.92 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.675 2.25 . . . . 61.350000000000001 112.359 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 49.3 t80 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 74.549999999999997 110.899 -179.867 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.846 0.355 . . . . 54.310000000000002 110.893 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -140.91 36.29 1.77 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.77 -0.729 . . . . 65.319999999999993 112.507 179.888 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 61.86 69.75 0.62 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.724 0.297 . . . . 61.399999999999999 110.899 -179.875 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 58.8 79.06 0.23 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 65.140000000000001 110.877 -179.977 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.76 -40.19 54.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 74.099999999999994 110.895 -179.931 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 63.89 73.92 0.43 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 74.329999999999998 111.091 179.877 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.511 ' N ' ' HD2' ' A' ' 8' ' ' PRO . 0.2 OUTLIER -67.32 -58.96 7.92 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.61 0.719 . . . . 74.329999999999998 110.866 -179.904 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.511 ' HD2' ' N ' ' A' ' 7' ' ' PHE . 53.6 Cg_endo -69.81 167.7 23.74 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.699 2.266 . . . . 75.010000000000005 112.339 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 142.1 47.09 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.67 2.247 . . . . 73.010000000000005 112.388 179.942 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 -179.49 89.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 74.219999999999999 110.965 -179.96 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -89.77 160.56 40.95 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.586 0.708 . . . . 72.239999999999995 110.92 -179.924 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 99.08 0.72 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.737 2.291 . . . . 62.240000000000002 112.344 179.981 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 16.0 t80 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 74.120000000000005 110.962 -179.94 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.851 0.358 . . . . 73.349999999999994 110.896 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -168.33 -81.08 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.735 -0.745 . . . . 61.409999999999997 112.457 179.937 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 61.82 69.82 0.62 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.797 0.332 . . . . 75.099999999999994 110.909 -179.876 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.9 tp60 55.01 77.21 0.22 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 72.219999999999999 110.938 -179.944 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? -50.7 -40.8 54.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 63.229999999999997 110.894 -179.908 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 62.41 73.34 0.47 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 72.129999999999995 111.126 179.93 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.516 ' N ' ' HD2' ' A' ' 8' ' ' PRO . 0.1 OUTLIER -67.26 -58.94 8.03 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.664 0.745 . . . . 73.310000000000002 110.906 -179.914 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.516 ' HD2' ' N ' ' A' ' 7' ' ' PHE . 53.8 Cg_endo -69.77 167.75 23.55 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.667 2.245 . . . . 73.040000000000006 112.325 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 89.91 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.653 2.235 . . . . 75.019999999999996 112.382 179.91 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.1 tm0? -179.45 89.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 72.040000000000006 110.914 -179.963 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.46 160.58 28.85 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.614 0.721 . . . . 74.109999999999999 110.918 -179.972 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 114.31 3.67 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.614 2.209 . . . . 64.319999999999993 112.366 179.992 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 73.200000000000003 110.94 -179.905 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.891 0.377 . . . . 62.509999999999998 110.878 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 138.35 88.19 0.19 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.778 -0.725 . . . . 63.439999999999998 112.516 179.902 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 61.82 69.77 0.62 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.756 0.312 . . . . 72.230000000000004 110.899 -179.868 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -174.17 76.71 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 72.030000000000001 110.904 -179.985 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.73 -55.24 17.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.438 . . . . 71.219999999999999 110.863 -179.927 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 62.45 73.37 0.47 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 74.129999999999995 111.089 179.92 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.521 ' N ' ' HD2' ' A' ' 8' ' ' PRO . 0.1 OUTLIER -67.28 -59.01 7.88 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.649 0.738 . . . . 72.109999999999999 110.868 -179.923 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.521 ' HD2' ' N ' ' A' ' 7' ' ' PHE . 53.7 Cg_endo -69.81 167.76 23.58 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.645 2.23 . . . . 64.299999999999997 112.333 -179.964 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 158.13 58.05 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.651 2.234 . . . . 53.25 112.37 179.978 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 51.92 78.58 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 31.530000000000001 110.906 -179.997 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -51.67 156.84 2.12 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.583 0.706 . . . . 73.430000000000007 110.906 -179.921 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 133.04 24.68 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.688 2.258 . . . . 63.109999999999999 112.358 -179.991 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 5.9 t80 . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.255 -0.43 . . . . 71.099999999999994 110.891 -179.895 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.821 0.343 . . . . 74.420000000000002 110.916 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -155.67 -83.68 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.694 -0.765 . . . . 51.549999999999997 112.457 179.859 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 61.85 69.81 0.62 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.733 0.301 . . . . 73.530000000000001 110.899 -179.863 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 43.6 tp60 -174.17 67.77 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 75.409999999999997 110.897 -179.949 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -50.69 -31.69 17.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 72.040000000000006 110.934 -179.956 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 62.33 73.38 0.47 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 64.219999999999999 111.035 179.883 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.518 ' N ' ' HD2' ' A' ' 8' ' ' PRO . 0.1 OUTLIER -67.53 -58.94 7.68 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.591 0.71 . . . . 64.230000000000004 110.89 -179.946 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.518 ' HD2' ' N ' ' A' ' 7' ' ' PHE . 53.9 Cg_endo -69.8 167.08 25.51 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.664 2.242 . . . . 65.109999999999999 112.346 179.97 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 163.65 37.55 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.681 2.254 . . . . 71.329999999999998 112.302 -179.984 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 58.41 83.88 0.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 74.040000000000006 110.948 -179.975 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -51.76 160.54 1.06 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.531 0.682 . . . . 65.409999999999997 110.93 -179.921 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 90.19 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.66 2.24 . . . . 31.120000000000001 112.328 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 43.1 t80 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 62.32 110.901 -179.933 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.4 mp . . . . . 0 C--O 1.23 0.046 0 CA-C-O 120.843 0.354 . . . . 75.049999999999997 110.911 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -130.08 -73.24 0.13 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.748 -0.739 . . . . 40.329999999999998 112.528 179.896 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 61.83 69.72 0.62 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.725 0.297 . . . . 62.329999999999998 110.913 -179.925 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 57.81 79.49 0.2 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 74.319999999999993 110.889 -179.964 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? 179.42 -48.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 62.0 110.959 -179.962 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 63.8 73.97 0.43 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 51.350000000000001 111.104 179.882 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.51 ' N ' ' HD2' ' A' ' 8' ' ' PRO . 0.2 OUTLIER -67.3 -59.0 7.88 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.668 0.747 . . . . 64.420000000000002 110.884 -179.906 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 7' ' ' PHE . 54.1 Cg_endo -69.72 167.71 23.6 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.705 2.27 . . . . 71.329999999999998 112.348 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 146.92 61.69 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.709 2.273 . . . . 75.230000000000004 112.336 179.95 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -179.47 89.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 75.219999999999999 110.901 179.991 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -134.97 73.68 65.39 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.583 0.706 . . . . 65.439999999999998 110.949 -179.96 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 145.08 56.1 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.701 2.267 . . . . 62.310000000000002 112.343 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.8 t80 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 74.510000000000005 110.884 -179.91 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.83 0.348 . . . . 75.230000000000004 110.891 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -80.64 -97.74 0.36 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.735 -0.745 . . . . 51.43 112.491 179.898 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 61.85 69.71 0.62 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.793 0.33 . . . . 74.230000000000004 110.914 -179.901 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 55.36 75.6 0.31 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 73.129999999999995 110.93 -179.949 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 179.08 93.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 64.219999999999999 110.915 -179.913 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 63.78 74.0 0.43 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 63.009999999999998 111.075 179.929 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.523 ' N ' ' HD2' ' A' ' 8' ' ' PRO . 0.1 OUTLIER -67.22 -58.97 8.02 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.673 0.749 . . . . 71.540000000000006 110.876 -179.948 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.523 ' HD2' ' N ' ' A' ' 7' ' ' PHE . 54.0 Cg_endo -69.81 167.72 23.69 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.693 2.262 . . . . 74.310000000000002 112.345 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 112.8 3.17 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.698 2.265 . . . . 70.439999999999998 112.328 179.963 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.8 tm0? -179.52 88.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 73.120000000000005 110.902 179.957 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 62.14 68.3 1.11 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.588 0.708 . . . . 75.230000000000004 110.938 -179.96 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 135.42 30.43 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.684 2.256 . . . . 75.409999999999997 112.306 -179.939 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 27.3 t80 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 74.230000000000004 110.887 -179.907 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 2.3 tt . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.804 0.335 . . . . 72.239999999999995 110.906 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -174.65 40.61 0.12 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.699 -0.762 . . . . 71.129999999999995 112.467 179.875 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 61.83 69.78 0.62 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.813 0.34 . . . . 72.129999999999995 110.945 -179.87 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 56.19 78.64 0.2 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 73.299999999999997 110.925 -179.923 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 179.46 -46.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 75.140000000000001 110.872 -179.936 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 63.82 73.99 0.43 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 74.120000000000005 111.066 179.913 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.516 ' N ' ' HD2' ' A' ' 8' ' ' PRO . 0.1 OUTLIER -67.3 -58.96 7.95 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.632 0.73 . . . . 71.140000000000001 110.854 -179.914 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.516 ' HD2' ' N ' ' A' ' 7' ' ' PHE . 54.1 Cg_endo -69.79 167.77 23.51 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.636 2.224 . . . . 71.230000000000004 112.38 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 158.16 57.84 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.675 2.25 . . . . 73.129999999999995 112.357 179.96 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -179.5 89.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.431 . . . . 64.400000000000006 110.917 -179.947 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.01 160.61 46.55 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.593 0.711 . . . . 72.430000000000007 110.964 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 169.24 19.46 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.687 2.258 . . . . 74.030000000000001 112.326 -179.996 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 9.8 t80 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 71.230000000000004 110.926 -179.894 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.828 0.346 . . . . 71.450000000000003 110.924 . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -58.96 -59.15 11.31 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.752 -0.737 . . . . 74.340000000000003 112.502 179.907 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 61.86 69.69 0.62 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.708 0.29 . . . . 75.430000000000007 110.91 -179.917 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 36.0 tp60 59.68 81.2 0.18 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 74.109999999999999 110.921 -179.891 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.91 -33.52 24.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 73.209999999999994 110.958 179.996 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 63.73 73.99 0.43 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 62.409999999999997 111.126 179.947 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.511 ' N ' ' HD2' ' A' ' 8' ' ' PRO . 0.2 OUTLIER -67.27 -59.0 7.92 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.636 0.731 . . . . 62.130000000000003 110.881 -179.906 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.511 ' HD2' ' N ' ' A' ' 7' ' ' PHE . 54.2 Cg_endo -69.74 167.75 23.51 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.673 2.248 . . . . 73.319999999999993 112.344 -179.996 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 88.11 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.669 2.246 . . . . 61.119999999999997 112.333 179.976 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.4 tm0? -179.5 88.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 71.25 110.864 -179.984 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.13 160.57 30.6 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.591 0.71 . . . . 63.130000000000003 110.937 179.995 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 105.21 1.44 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.697 2.265 . . . . 52.119999999999997 112.35 -179.984 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 64.540000000000006 110.914 -179.917 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 5.6 mp . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.858 0.361 . . . . 74.299999999999997 110.885 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -88.72 -99.85 0.98 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.749 -0.739 . . . . 64.120000000000005 112.488 179.888 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 61.75 69.83 0.62 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.78 0.324 . . . . 50.340000000000003 110.919 -179.861 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 18.6 tt0 -174.15 69.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 73.540000000000006 110.873 -179.955 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -50.74 -38.06 45.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 53.030000000000001 110.922 -179.977 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 63.75 74.0 0.43 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 30.550000000000001 111.116 179.92 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.511 ' N ' ' HD2' ' A' ' 8' ' ' PRO . 0.1 OUTLIER -67.29 -58.97 7.93 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.639 0.733 . . . . 64.310000000000002 110.868 -179.899 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.511 ' HD2' ' N ' ' A' ' 7' ' ' PHE . 53.9 Cg_endo -69.77 167.73 23.62 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.717 2.278 . . . . 72.129999999999995 112.32 -179.983 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 89.58 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.66 2.24 . . . . 65.109999999999999 112.358 179.931 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -179.49 90.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 65.450000000000003 110.907 -179.991 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.85 71.38 29.53 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.601 0.715 . . . . 73.150000000000006 110.93 -179.941 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 128.82 16.58 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.69 2.26 . . . . 74.5 112.346 179.997 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.474 . . . . 75.049999999999997 110.888 -179.876 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.035 0 CA-C-O 120.835 0.35 . . . . 74.420000000000002 110.919 . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -86.64 -91.34 0.94 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.712 -0.756 . . . . 73.219999999999999 112.477 179.907 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 61.84 69.76 0.62 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.753 0.311 . . . . 65.329999999999998 110.969 -179.839 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 -174.15 68.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 73.010000000000005 110.901 -179.904 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.76 -31.67 17.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 73.239999999999995 110.939 -179.967 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 63.74 73.99 0.43 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 71.310000000000002 111.133 179.928 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.522 ' N ' ' HD2' ' A' ' 8' ' ' PRO . 0.2 OUTLIER -67.28 -58.96 7.97 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.608 0.718 . . . . 73.040000000000006 110.902 -179.92 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.522 ' HD2' ' N ' ' A' ' 7' ' ' PHE . 53.6 Cg_endo -69.8 167.74 23.62 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.682 2.255 . . . . 54.229999999999997 112.355 -179.989 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 102.59 1.04 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.706 2.271 . . . . 61.229999999999997 112.347 179.95 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -179.5 89.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 61.130000000000003 110.898 -179.996 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -169.48 71.93 0.69 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.558 0.694 . . . . 74.120000000000005 110.88 -179.953 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 90.95 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.674 2.249 . . . . 75.019999999999996 112.331 179.98 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 85.7 t80 . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.238 -0.437 . . . . 72.299999999999997 110.94 -179.953 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 2.8 mp . . . . . 0 C--O 1.23 0.044 0 CA-C-O 120.889 0.376 . . . . 73.510000000000005 110.908 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 78.79 51.08 5.64 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.76 -0.733 . . . . 61.520000000000003 112.506 179.92 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 61.86 69.73 0.62 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.721 0.296 . . . . 72.230000000000004 110.884 -179.887 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -174.15 75.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 65.510000000000005 110.891 -179.96 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.66 -38.57 47.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 60.219999999999999 110.906 -179.946 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 62.37 73.33 0.47 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 73.409999999999997 111.088 179.928 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.523 ' N ' ' HD2' ' A' ' 8' ' ' PRO . 0.2 OUTLIER -67.28 -58.95 7.98 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.682 0.753 . . . . 64.329999999999998 110.895 -179.906 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.523 ' HD2' ' N ' ' A' ' 7' ' ' PHE . 53.7 Cg_endo -69.78 167.74 23.59 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.703 2.269 . . . . 60.140000000000001 112.347 179.99 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 129.21 17.21 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.647 2.231 . . . . 54.509999999999998 112.349 179.935 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -179.52 90.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 71.409999999999997 110.925 179.991 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 57.06 69.01 1.81 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.535 0.683 . . . . 65.319999999999993 110.869 -179.94 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 108.85 2.17 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.655 2.237 . . . . 75.349999999999994 112.361 179.972 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 18.3 t80 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 75.519999999999996 110.924 -179.889 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.049 0 CA-C-O 120.825 0.345 . . . . 75.209999999999994 110.934 . . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 101.27 -34.79 5.36 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.796 -0.716 . . . . 54.229999999999997 112.504 179.904 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 61.82 69.78 0.62 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.742 0.306 . . . . 73.200000000000003 110.921 -179.913 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -174.16 86.15 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 34.43 110.893 -179.944 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -50.67 -34.38 26.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 65.140000000000001 110.901 -179.948 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 63.84 73.99 0.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 60.140000000000001 111.096 179.945 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.52 ' N ' ' HD2' ' A' ' 8' ' ' PRO . 0.2 OUTLIER -67.24 -59.04 7.89 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.686 0.755 . . . . 75.409999999999997 110.883 -179.937 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.52 ' HD2' ' N ' ' A' ' 7' ' ' PHE . 53.4 Cg_endo -69.79 167.76 23.55 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.712 2.275 . . . . 72.030000000000001 112.32 -179.95 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 87.83 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.694 2.263 . . . . 72.349999999999994 112.369 179.981 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -179.47 88.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 65.420000000000002 110.929 -179.989 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -112.7 160.58 30.1 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.599 0.714 . . . . 72.019999999999996 110.951 -179.984 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 79.51 0.93 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.708 2.272 . . . . 73.409999999999997 112.336 -179.977 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 68.4 t80 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 73.430000000000007 110.916 -179.897 . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.035 0 CA-C-O 120.871 0.367 . . . . 75.120000000000005 110.912 . . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -170.43 -79.55 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.698 -0.763 . . . . 31.039999999999999 112.465 179.963 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 61.89 69.85 0.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.801 0.334 . . . . 60.310000000000002 110.891 -179.877 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -174.17 86.2 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 72.329999999999998 110.944 -179.995 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.7 -39.1 50.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 75.299999999999997 110.937 -179.948 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 63.8 73.99 0.43 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 63.329999999999998 111.123 179.895 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.512 ' N ' ' HD2' ' A' ' 8' ' ' PRO . 0.2 OUTLIER -67.32 -58.97 7.9 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.618 0.723 . . . . 72.239999999999995 110.867 -179.903 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.512 ' HD2' ' N ' ' A' ' 7' ' ' PHE . 53.9 Cg_endo -69.78 167.76 23.53 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.648 2.232 . . . . 64.120000000000005 112.381 -179.996 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 126.6 13.49 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.688 2.259 . . . . 52.240000000000002 112.346 179.959 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -179.57 89.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.447 . . . . 75.349999999999994 110.9 -179.978 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -59.96 160.61 15.13 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.581 0.705 . . . . 62.130000000000003 110.942 -179.926 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 127.36 14.47 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.701 2.267 . . . . 54.32 112.316 -179.993 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 77.5 t80 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 75.200000000000003 110.955 -179.948 . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.877 0.37 . . . . 64.319999999999993 110.95 . . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 167.44 -47.83 0.25 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.771 -0.728 . . . . 61.530000000000001 112.486 179.902 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 61.82 69.8 0.62 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.836 0.35 . . . . 72.140000000000001 110.916 -179.874 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 58.84 75.54 0.39 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 74.299999999999997 110.898 -179.973 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 179.43 -42.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 51.039999999999999 110.924 -179.935 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 62.44 73.44 0.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 65.230000000000004 111.052 179.902 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.52 ' N ' ' HD2' ' A' ' 8' ' ' PRO . 0.1 OUTLIER -67.31 -59.02 7.83 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.681 0.753 . . . . 72.129999999999995 110.842 -179.913 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.52 ' HD2' ' N ' ' A' ' 7' ' ' PHE . 53.5 Cg_endo -69.72 167.75 23.47 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.706 2.27 . . . . 72.299999999999997 112.339 -179.986 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 87.97 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.646 2.231 . . . . 74.099999999999994 112.358 179.942 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.9 tm0? -179.49 90.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 72.239999999999995 110.915 -179.996 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.0 pm0 -51.66 156.84 2.11 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.569 0.7 . . . . 74.120000000000005 110.911 -179.924 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 107.45 1.86 Allowed 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.642 2.228 . . . . 73.230000000000004 112.336 -179.978 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.2 t80 . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.25 -0.432 . . . . 70.510000000000005 110.905 -179.892 . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.883 0.373 . . . . 72.319999999999993 110.917 . . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -104.98 52.77 0.7 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.735 -0.745 . . . . 74.209999999999994 112.503 179.888 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 61.86 69.71 0.62 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.751 0.31 . . . . 64.099999999999994 110.894 -179.904 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 38.3 tt0 -174.11 73.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 53.409999999999997 110.891 -179.99 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 179.38 -53.89 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 73.5 110.92 -179.907 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 62.32 73.31 0.47 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 45.039999999999999 111.149 179.96 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.521 ' N ' ' HD2' ' A' ' 8' ' ' PRO . 0.2 OUTLIER -67.22 -59.0 7.97 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.661 0.743 . . . . 73.239999999999995 110.893 -179.922 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.521 ' HD2' ' N ' ' A' ' 7' ' ' PHE . 54.0 Cg_endo -69.75 167.76 23.48 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.639 2.226 . . . . 65.340000000000003 112.378 179.987 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 158.95 55.17 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.665 2.243 . . . . 65.219999999999999 112.329 179.972 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -179.49 89.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 73.129999999999995 110.887 -179.969 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -136.99 69.24 57.54 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.57 0.7 . . . . 74.329999999999998 110.892 -179.935 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 94.32 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.662 2.242 . . . . 72.239999999999995 112.39 179.966 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 4.5 t80 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 62.43 110.953 -179.909 . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.865 0.364 . . . . 72.430000000000007 110.919 . . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 148.18 -59.48 0.46 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.783 -0.722 . . . . 71.209999999999994 112.522 179.918 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 61.77 69.85 0.62 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.785 0.326 . . . . 64.140000000000001 110.887 -179.874 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -174.16 75.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 63.310000000000002 110.909 -179.939 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 179.08 93.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 43.340000000000003 110.899 -179.96 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 63.85 73.91 0.43 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 63.219999999999999 111.108 179.921 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.519 ' N ' ' HD2' ' A' ' 8' ' ' PRO . 0.1 OUTLIER -67.25 -58.96 8.01 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.638 0.732 . . . . 71.230000000000004 110.904 -179.907 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.519 ' HD2' ' N ' ' A' ' 7' ' ' PHE . 53.5 Cg_endo -69.71 167.73 23.54 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.732 2.288 . . . . 73.340000000000003 112.303 179.981 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 103.96 1.25 Allowed 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.64 2.226 . . . . 65.040000000000006 112.38 179.923 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -179.49 89.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 72.019999999999996 110.917 -179.959 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -146.92 73.05 12.35 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.631 0.729 . . . . 74.129999999999995 110.915 -179.982 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 94.1 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.735 2.29 . . . . 75.340000000000003 112.317 -179.962 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 71.420000000000002 110.897 -179.892 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.041 0 CA-C-O 120.852 0.358 . . . . 73.450000000000003 110.935 . . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -111.01 -42.69 1.07 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.77 -0.729 . . . . 33.219999999999999 112.512 179.903 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 61.82 69.81 0.62 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.723 0.297 . . . . 75.420000000000002 110.875 -179.902 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 69.8 tp60 -174.2 85.27 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.448 . . . . 73.239999999999995 110.909 -179.973 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 179.07 93.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 72.129999999999995 110.868 -179.984 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 63.83 74.0 0.43 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 64.420000000000002 111.117 179.93 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.519 ' N ' ' HD2' ' A' ' 8' ' ' PRO . 0.1 OUTLIER -67.31 -59.0 7.86 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.676 0.751 . . . . 72.400000000000006 110.878 -179.91 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.519 ' HD2' ' N ' ' A' ' 7' ' ' PHE . 54.2 Cg_endo -69.72 167.72 23.57 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.649 2.233 . . . . 72.340000000000003 112.383 179.988 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 111.5 2.83 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.681 2.254 . . . . 74.510000000000005 112.304 179.951 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -179.49 89.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 71.319999999999993 110.931 179.961 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -86.45 160.59 50.66 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.615 0.721 . . . . 73.219999999999999 110.866 -179.916 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 107.46 1.87 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.663 2.242 . . . . 74.040000000000006 112.364 179.999 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 75.349999999999994 110.889 -179.863 . . . . . . . . 1 1 . 1 stop_ save_