data_2rrs_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2rrs _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 59.2 t . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.878 0.37 . . . . 64.35 111.119 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -57.04 -42.23 80.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 74.43 110.893 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -55.49 -45.94 76.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 75.2 111.122 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.7 m -64.9 -42.23 94.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 72.12 110.87 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.97 160.66 81.27 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.619 0.723 . . . . 72.52 110.922 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -16.5 37.45 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.704 2.269 . . . . 73.34 112.298 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -52.18 171.32 0.4 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.742 -0.742 . . . . 70.1 112.478 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 26.3 pt -57.16 146.79 6.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.773 0.32 . . . . 74.52 111.15 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.3 pp -94.96 23.06 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 74.42 111.171 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -59.27 -48.78 80.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 73.32 110.853 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.7 p -55.39 -42.18 73.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 73.54 111.138 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.1 ttt180 -56.95 -44.57 82.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 72.24 110.842 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.3 t -58.69 -40.58 84.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 75.22 110.895 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 42.7 tt0 -65.02 -39.95 94.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.107 -0.497 . . . . 74.3 110.929 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 48.2 tttp . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 74.42 110.936 179.916 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 37.2 t . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.876 0.369 . . . . 72.54 111.115 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -63.22 -40.11 96.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 74.24 110.91 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -55.17 -43.27 74.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 64.12 111.105 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.6 m -61.21 -44.27 97.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 74.13 110.848 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 20.3 mt -52.81 159.24 1.86 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.575 0.702 . . . . 73.34 110.941 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -16.75 37.62 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.704 2.27 . . . . 64.11 112.331 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -65.72 -153.12 0.15 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.728 -0.748 . . . . 73.0 112.483 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 31.2 pt -91.73 -176.2 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.773 0.32 . . . . 73.15 111.168 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.4 pp -121.68 23.46 4.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 75.31 111.148 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -59.43 -48.93 79.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 74.43 110.895 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 38.8 p -55.74 -40.31 72.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 61.41 111.138 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.3 mmp_? -62.13 -43.77 98.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 74.23 110.885 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.6 t -63.5 -41.77 98.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 73.43 110.854 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 68.0 tp60 -59.14 -40.2 84.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 75.34 110.923 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.8 mttm . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.435 . . . . 74.34 110.912 179.94 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 39.6 t . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.841 0.353 . . . . 65.2 111.144 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -59.11 -40.26 84.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 74.52 110.91 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -55.02 -49.96 70.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 74.21 111.107 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 6.1 m -64.97 -40.52 95.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 65.32 110.843 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.1 mp -71.94 160.68 82.0 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.638 0.733 . . . . 74.3 110.941 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 -16.58 37.33 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.672 2.248 . . . . 74.21 112.329 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -52.31 172.09 0.36 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.753 -0.737 . . . . 72.13 112.435 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 31.5 pt -64.49 -177.37 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.785 0.326 . . . . 74.5 111.144 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.3 pp -121.77 21.22 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 70.4 111.124 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 26.6 t80 -55.17 -44.4 75.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 71.23 110.903 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.9 t -56.22 -40.14 73.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 72.05 111.131 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 45.2 mtp180 -64.93 -41.34 95.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 72.33 110.901 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.1 t -55.1 -49.83 70.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 64.41 110.829 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -61.45 -40.76 95.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 72.34 110.903 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.8 tmtt? . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 73.51 110.851 179.967 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 40.4 t . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.838 0.352 . . . . 72.35 111.097 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -59.23 -42.35 90.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 74.51 110.878 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.76 -49.96 75.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.473 . . . . 71.12 111.109 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 44.8 t -65.05 -39.92 94.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 74.13 110.866 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 20.2 mt -58.54 159.22 12.81 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.663 0.744 . . . . 74.11 110.879 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -8.44 23.61 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.701 2.267 . . . . 74.44 112.366 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -64.97 -109.78 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.755 -0.736 . . . . 63.23 112.496 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.2 pp -157.09 176.65 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.821 0.343 . . . . 63.25 111.102 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.5 pp -108.12 18.59 6.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 71.55 111.127 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -57.89 -48.79 78.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 71.2 110.905 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 65.2 p -60.77 -42.53 97.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 74.04 111.132 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 22.2 mtp85 -56.7 -40.72 76.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 72.22 110.869 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 43.1 t -63.25 -41.5 99.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 71.42 110.854 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 33.9 mm-40 -61.9 -41.46 97.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 75.1 110.935 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.6 tmtm? . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 73.3 110.921 179.917 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 86.2 t . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.836 0.351 . . . . 75.52 111.077 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -54.91 -39.81 69.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.215 -0.448 . . . . 75.11 110.868 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -54.81 -39.51 68.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 71.01 111.097 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 12.3 t -54.56 -42.47 71.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 72.43 110.855 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -95.2 156.82 37.33 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.579 0.704 . . . . 74.33 110.942 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 74.21 1.29 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.704 2.269 . . . . 75.03 112.348 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.85 -108.35 2.23 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.731 -0.747 . . . . 74.34 112.454 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 21.2 pt -148.37 158.24 7.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.778 0.323 . . . . 75.34 111.121 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.3 pp -94.94 22.37 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 74.53 111.137 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -65.04 -50.14 67.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 73.44 110.855 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.1 t -62.47 -39.64 94.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.11 -0.495 . . . . 75.35 111.131 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -57.64 -47.68 81.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 72.21 110.877 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 30.1 t -61.92 -43.38 98.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 61.01 110.849 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -61.31 -39.97 92.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 73.41 110.922 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 74.24 110.901 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 27.7 t . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.819 0.343 . . . . 74.21 111.11 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -54.99 -39.96 69.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 75.3 110.916 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -62.05 -40.29 95.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 73.44 111.09 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 10.8 t -62.37 -50.02 73.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 72.42 110.883 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -79.02 155.61 77.38 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.605 0.717 . . . . 74.04 110.925 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 90.04 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.665 2.243 . . . . 74.33 112.371 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.8 -142.4 3.5 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.723 -0.751 . . . . 62.45 112.451 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 28.7 pt -104.67 -178.62 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.818 0.342 . . . . 62.54 111.143 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.3 pp -121.79 21.02 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 73.04 111.098 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -55.69 -50.05 71.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 65.42 110.871 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.1 t -57.92 -39.95 79.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 71.54 111.135 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.6 mtp180 -58.25 -41.91 85.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 73.32 110.855 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.7 t -61.05 -49.36 77.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 75.11 110.823 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 36.6 tp60 -60.24 -43.35 96.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 65.33 110.899 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.7 tptp . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 63.15 110.883 179.971 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 46.8 t . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.852 0.358 . . . . 74.44 111.106 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -54.83 -50.02 69.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 72.24 110.888 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -63.46 -39.93 95.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 73.05 111.074 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 13.3 t -60.16 -46.55 89.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 65.32 110.865 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -77.09 158.32 80.09 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.599 0.714 . . . . 74.23 110.924 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -7.25 20.58 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.646 2.231 . . . . 73.41 112.372 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -50.83 -89.22 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.748 -0.739 . . . . 72.32 112.49 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 16.1 pt -152.23 -178.08 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.834 0.35 . . . . 74.1 111.106 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.9 pp -117.86 38.15 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 75.33 111.103 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -54.85 -47.4 74.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 75.22 110.873 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.2 t -58.84 -39.78 82.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 65.24 111.11 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.9 mmm180 -60.14 -50.05 75.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 64.54 110.85 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 11.0 t -61.89 -40.85 96.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 63.23 110.895 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 20.1 tm0? -59.08 -40.38 85.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.1 -0.5 . . . . 75.12 110.911 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.2 tmtm? . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 71.21 110.892 179.959 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 40.1 t . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.815 0.34 . . . . 72.21 111.143 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -59.44 -43.06 93.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 65.23 110.893 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.18 -43.69 95.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 75.42 111.11 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 34.3 m -64.26 -43.08 95.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 72.33 110.857 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.3 mp -73.97 160.62 81.36 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.641 0.734 . . . . 75.54 110.885 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -16.2 37.62 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.745 2.297 . . . . 75.01 112.331 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -58.19 -174.86 0.47 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.771 -0.728 . . . . 70.51 112.488 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -69.54 177.47 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.832 0.349 . . . . 63.5 111.102 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.4 pp -142.15 23.74 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 74.42 111.139 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -55.37 -48.04 74.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 74.35 110.856 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.9 t -55.88 -40.07 72.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 74.33 111.152 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -59.36 -49.89 76.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 73.31 110.9 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.1 t -60.77 -40.04 91.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 74.23 110.827 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 39.7 tt0 -60.93 -42.58 98.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 73.33 110.892 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 20.0 tttp . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 71.45 110.883 179.942 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 23.8 t . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.824 0.345 . . . . 75.32 111.123 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -59.33 -42.05 90.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 70.35 110.85 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.98 -47.62 76.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 70.51 111.089 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.4 t -62.64 -49.68 74.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 75.41 110.873 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.53 160.63 82.01 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.601 0.715 . . . . 75.43 110.922 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -8.58 23.97 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.695 2.263 . . . . 70.23 112.332 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -54.33 176.59 0.37 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.782 -0.723 . . . . 74.41 112.467 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -63.44 170.92 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.877 0.37 . . . . 75.12 111.099 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.5 pp -131.13 22.75 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 74.55 111.096 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -56.26 -42.09 76.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 74.04 110.858 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.0 t -57.54 -39.95 77.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 74.23 111.132 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 67.0 mtp180 -64.11 -50.0 69.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 73.14 110.848 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 30.0 t -58.21 -47.57 83.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 71.11 110.87 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -64.98 -48.07 75.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 65.45 110.921 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.2 mmtp . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 73.44 110.913 179.947 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 58.5 t . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.874 0.368 . . . . 71.11 111.127 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -58.64 -40.07 82.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 74.43 110.884 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -54.98 -49.93 70.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 73.23 111.106 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 11.0 t -64.98 -39.98 94.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 70.12 110.903 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 20.3 mt -58.47 159.24 12.55 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.56 0.695 . . . . 74.13 110.971 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -9.96 27.4 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.706 2.27 . . . . 73.01 112.337 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.76 -139.44 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.752 -0.737 . . . . 74.33 112.472 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -117.78 -179.52 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.846 0.355 . . . . 74.21 111.157 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.4 pp -118.4 22.87 5.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 75.14 111.102 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -59.75 -45.72 91.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 74.32 110.871 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.0 t -56.75 -40.03 75.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 74.41 111.149 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 28.0 mtm180 -59.63 -50.0 75.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 73.45 110.857 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.1 t -61.18 -45.81 93.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 72.42 110.849 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -57.05 -44.91 83.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 72.43 110.886 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 36.5 tptt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 74.23 110.901 179.949 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 44.3 t . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.852 0.358 . . . . 74.52 111.147 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -62.91 -43.28 99.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 74.24 110.877 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -62.49 -44.02 97.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 74.32 111.069 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.21 -47.22 80.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 63.23 110.826 -179.727 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -73.42 151.33 89.66 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.557 0.694 . . . . 75.03 110.906 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 66.48 1.78 Allowed 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.73 2.287 . . . . 73.43 112.336 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.85 -144.29 5.73 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.761 -0.733 . . . . 62.0 112.517 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 28.7 pt -103.22 -176.9 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.81 0.338 . . . . 73.4 111.113 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.3 pp -121.35 21.47 5.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 73.44 111.09 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -55.01 -50.0 70.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 75.55 110.869 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.9 t -56.78 -39.92 74.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.138 -0.483 . . . . 73.13 111.154 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 28.5 mmm180 -57.3 -44.37 84.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 74.34 110.839 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 15.4 t -56.74 -40.73 76.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 75.1 110.817 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 17.1 tm0? -58.73 -45.22 90.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.485 . . . . 72.41 110.944 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 72.43 110.93 179.958 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 34.9 t . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.902 0.382 . . . . 65.35 111.173 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -55.98 -41.66 75.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 75.12 110.856 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.96 -49.3 76.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 73.24 111.087 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 53.5 m -63.74 -49.14 74.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 75.12 110.862 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.46 150.41 93.88 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.605 0.717 . . . . 73.32 110.921 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 67.93 1.69 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.663 2.242 . . . . 71.24 112.326 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.71 -167.14 12.12 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.752 -0.737 . . . . 74.52 112.466 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 23.1 pt -78.06 176.9 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.811 0.339 . . . . 74.43 111.127 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.3 pp -121.49 21.44 5.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 72.21 111.136 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -56.3 -50.06 72.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 74.13 110.899 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.3 t -60.68 -39.68 89.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 72.05 111.165 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.62 -43.54 76.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.457 . . . . 74.12 110.882 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.4 t -64.53 -43.76 93.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 74.21 110.893 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 19.6 tp60 -62.87 -43.28 99.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.069 -0.514 . . . . 72.25 110.873 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 73.43 110.898 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 56.3 t . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.813 0.34 . . . . 74.41 111.108 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -56.41 -39.82 73.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 73.01 110.847 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -54.98 -50.13 69.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 65.32 111.055 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.8 m -65.04 -39.98 94.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 72.41 110.891 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.41 160.91 76.51 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.645 0.736 . . . . 75.23 110.947 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -8.15 22.88 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.706 2.271 . . . . 62.31 112.319 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -51.85 171.26 0.35 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.708 -0.758 . . . . 71.34 112.438 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 28.0 pt -65.45 143.38 15.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.784 0.326 . . . . 74.11 111.157 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -83.78 4.52 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 74.0 111.17 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -63.33 -40.0 96.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 74.2 110.898 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 44.2 p -64.75 -50.19 67.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.091 -0.504 . . . . 64.32 111.13 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -65.13 -40.11 94.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 75.24 110.9 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 21.0 t -58.82 -48.86 79.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.471 . . . . 74.23 110.894 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -56.45 -43.62 79.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 70.11 110.911 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 42.9 tptt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 73.23 110.894 179.977 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 23.2 t . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.825 0.345 . . . . 71.02 111.105 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -60.16 -39.87 87.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 71.24 110.87 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -54.86 -50.06 69.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 72.23 111.123 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.6 m -65.2 -39.96 93.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 74.22 110.842 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.8 mp -73.44 161.11 80.56 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.579 0.704 . . . . 74.34 110.943 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -8.25 23.12 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.717 2.278 . . . . 65.32 112.32 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -52.13 172.08 0.34 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.726 -0.749 . . . . 72.23 112.497 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 23.1 pt -63.52 138.64 22.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.771 0.32 . . . . 72.44 111.146 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -84.32 4.74 2.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.224 -0.444 . . . . 75.44 111.1 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -54.77 -47.65 73.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 75.01 110.894 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.0 t -55.01 -39.96 69.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 73.31 111.12 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -64.53 -48.41 75.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 73.55 110.84 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 23.0 t -64.55 -42.48 95.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 75.32 110.875 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 69.9 tp60 -58.32 -48.94 78.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 75.1 110.863 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.3 ttpp . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 72.45 110.871 179.983 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 25.4 t . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.858 0.361 . . . . 75.5 111.169 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -59.47 -39.94 85.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 72.53 110.877 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -54.97 -50.07 69.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 71.45 111.061 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.2 m -65.0 -39.99 94.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 70.01 110.848 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 20.3 mt -76.97 159.22 79.03 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.595 0.712 . . . . 75.43 110.92 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -9.96 27.4 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.702 2.268 . . . . 75.33 112.312 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -52.12 171.74 0.36 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.797 -0.716 . . . . 63.23 112.463 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 30.3 pt -64.76 147.46 12.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.841 0.353 . . . . 75.41 111.161 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -83.29 3.86 2.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 74.51 111.143 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -54.92 -50.02 69.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 75.2 110.879 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -59.98 -41.02 91.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 72.54 111.113 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.0 mmp_? -64.94 -46.21 82.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.454 . . . . 74.43 110.885 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.2 t -63.76 -44.49 93.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 64.33 110.819 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -55.3 -42.85 74.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 70.44 110.896 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.3 tmmm? . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 75.43 110.918 179.987 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 41.7 t . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.868 0.366 . . . . 74.23 111.176 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -58.26 -40.01 80.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 73.44 110.874 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -54.88 -50.11 69.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 64.53 111.109 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 25.4 t -65.02 -40.0 94.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 74.01 110.853 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 20.2 mt -77.16 159.27 78.44 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.613 0.721 . . . . 74.21 110.938 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -8.53 23.84 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.653 2.235 . . . . 71.22 112.361 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -52.13 171.98 0.35 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.722 -0.751 . . . . 73.4 112.521 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 27.8 pt -64.91 144.33 14.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.861 0.363 . . . . 75.43 111.08 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -83.36 3.95 2.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.489 . . . . 75.43 111.119 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -54.96 -41.76 71.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 70.43 110.895 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.2 p -54.98 -40.16 69.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 64.04 111.141 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 27.2 mtp85 -64.05 -49.62 71.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.424 . . . . 75.33 110.878 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 13.8 t -62.94 -40.4 97.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 72.13 110.863 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -60.58 -40.23 90.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 72.32 110.914 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 73.12 110.896 179.972 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 22.0 t . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.815 0.341 . . . . 74.44 111.079 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.41 -39.99 77.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 74.31 110.896 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -54.95 -50.05 69.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 74.42 111.07 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 17.8 m -64.97 -40.05 94.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 75.24 110.863 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.2 mp -70.78 160.7 81.14 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.629 0.728 . . . . 72.12 110.904 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -12.64 33.32 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.662 2.241 . . . . 73.12 112.373 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -52.29 172.23 0.35 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.75 -0.738 . . . . 60.22 112.465 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 16.4 pt -63.81 -171.5 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.753 0.311 . . . . 74.31 111.148 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -126.91 6.09 3.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 73.04 111.103 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -54.56 -49.94 69.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 72.44 110.894 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.0 t -57.17 -40.02 76.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 75.02 111.129 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.5 ttp180 -57.82 -48.07 80.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 75.12 110.864 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 41.6 t -55.76 -43.24 76.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 74.13 110.851 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 48.1 tp60 -63.9 -49.63 71.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 75.1 110.947 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 39.2 mmtt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 73.45 110.913 179.974 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 54.8 t . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.883 0.373 . . . . 73.41 111.153 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -61.63 -41.04 96.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 74.53 110.868 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -58.1 -50.01 74.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 73.2 111.123 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 27.0 t -64.96 -40.38 94.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 74.33 110.876 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 20.2 mt -70.78 159.21 86.03 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.649 0.738 . . . . 74.22 110.895 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -10.51 28.77 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.697 2.265 . . . . 64.03 112.347 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -53.77 175.14 0.38 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.709 -0.758 . . . . 74.54 112.493 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 17.1 pt -59.65 -173.32 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.851 0.358 . . . . 73.15 111.09 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -132.09 5.13 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 74.12 111.139 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -65.26 -41.27 94.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 73.15 110.865 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 62.4 p -65.05 -50.34 66.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 74.42 111.151 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.23 -39.88 93.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 74.52 110.907 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 33.8 t -63.18 -40.04 96.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 65.41 110.864 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -56.47 -45.7 80.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 72.53 110.922 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.8 mtpp . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 74.41 110.892 179.988 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 40.3 t . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.877 0.37 . . . . 73.53 111.104 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.51 -39.85 94.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 75.32 110.886 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -54.83 -50.11 69.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 64.31 111.075 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 70.8 m -65.09 -39.98 93.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 75.34 110.867 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 20.3 mt -71.96 159.39 85.59 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.65 0.738 . . . . 73.44 110.897 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -8.32 23.32 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.697 2.265 . . . . 75.01 112.349 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -53.21 174.18 0.34 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.765 -0.731 . . . . 74.32 112.492 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.7 pt -67.7 -171.91 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.819 0.343 . . . . 73.54 111.163 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -124.71 6.1 4.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 74.13 111.127 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -54.41 -41.19 69.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 74.41 110.827 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.0 t -55.43 -39.95 70.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 74.14 111.168 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 36.5 mtp180 -65.0 -49.98 68.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 72.44 110.82 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.1 t -55.68 -40.17 71.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 72.32 110.88 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.7 tp60 -62.3 -46.16 90.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.105 -0.498 . . . . 75.34 110.88 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 73.42 110.902 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 38.4 t . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.871 0.367 . . . . 74.51 111.162 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -57.16 -47.78 80.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 74.42 110.882 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.63 -49.95 74.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 61.12 111.106 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.0 m -63.9 -39.83 95.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 63.43 110.841 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 20.3 mt -51.64 159.17 1.33 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.63 0.729 . . . . 73.5 110.925 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -8.08 22.69 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.721 2.281 . . . . 70.32 112.311 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -64.23 -108.62 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.73 -0.748 . . . . 61.34 112.521 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -144.49 -176.71 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.814 0.34 . . . . 74.51 111.132 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.3 pp -121.19 21.88 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 73.41 111.172 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -54.93 -47.05 74.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 73.11 110.882 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.5 t -55.01 -39.43 69.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 75.32 111.105 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -64.96 -44.61 88.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 74.25 110.875 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 41.0 m -62.02 -43.33 99.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 64.53 110.884 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.54 -48.83 77.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 73.42 110.914 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 74.34 110.926 179.961 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 59.2 t . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.878 0.37 . . . . 64.35 111.119 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -57.04 -42.23 80.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 74.43 110.893 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -55.49 -45.94 76.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 75.2 111.122 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.7 m -64.9 -42.23 94.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 72.12 110.87 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.97 160.66 81.27 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.619 0.723 . . . . 72.52 110.922 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -16.5 37.45 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.704 2.269 . . . . 73.34 112.298 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -52.18 171.32 0.4 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.742 -0.742 . . . . 70.1 112.478 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 26.3 pt -57.16 146.79 6.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.773 0.32 . . . . 74.52 111.15 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.3 pp -94.96 23.06 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 74.42 111.171 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -59.27 -48.78 80.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 73.32 110.853 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.7 p -55.39 -42.18 73.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 73.54 111.138 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.1 ttt180 -56.95 -44.57 82.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 72.24 110.842 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.3 t -58.69 -40.58 84.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 75.22 110.895 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 42.7 tt0 -65.02 -39.95 94.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.107 -0.497 . . . . 74.3 110.929 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 48.2 tttp -54.96 -39.96 69.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 74.42 110.936 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 24.5 tp10 -87.78 -25.94 23.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 74.44 110.908 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 144.48 -104.05 0.32 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.746 -0.74 . . . . 54.44 112.514 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.4 tt . . . . . 0 C--N 1.329 -0.304 0 CA-C-O 120.889 0.376 . . . . 74.5 110.912 -179.97 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 37.2 t . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.876 0.369 . . . . 72.54 111.115 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -63.22 -40.11 96.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 74.24 110.91 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -55.17 -43.27 74.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 64.12 111.105 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.6 m -61.21 -44.27 97.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 74.13 110.848 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 20.3 mt -52.81 159.24 1.86 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.575 0.702 . . . . 73.34 110.941 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -16.75 37.62 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.704 2.27 . . . . 64.11 112.331 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -65.72 -153.12 0.15 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.728 -0.748 . . . . 73.0 112.483 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 31.2 pt -91.73 -176.2 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.773 0.32 . . . . 73.15 111.168 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.4 pp -121.68 23.46 4.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 75.31 111.148 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -59.43 -48.93 79.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 74.43 110.895 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 38.8 p -55.74 -40.31 72.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 61.41 111.138 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.3 mmp_? -62.13 -43.77 98.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 74.23 110.885 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.6 t -63.5 -41.77 98.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 73.43 110.854 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 68.0 tp60 -59.14 -40.2 84.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 75.34 110.923 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.8 mttm -56.0 -48.92 75.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.435 . . . . 74.34 110.912 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -92.25 109.51 20.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 75.05 110.909 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 105.83 177.4 23.81 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.736 -0.745 . . . . 71.33 112.515 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.8 mp . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 120.848 0.356 . . . . 74.31 110.881 -179.896 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 39.6 t . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.841 0.353 . . . . 65.2 111.144 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -59.11 -40.26 84.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 74.52 110.91 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -55.02 -49.96 70.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 74.21 111.107 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 6.1 m -64.97 -40.52 95.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 65.32 110.843 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.1 mp -71.94 160.68 82.0 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.638 0.733 . . . . 74.3 110.941 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 -16.58 37.33 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.672 2.248 . . . . 74.21 112.329 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -52.31 172.09 0.36 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.753 -0.737 . . . . 72.13 112.435 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 31.5 pt -64.49 -177.37 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.785 0.326 . . . . 74.5 111.144 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.3 pp -121.77 21.22 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 70.4 111.124 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 26.6 t80 -55.17 -44.4 75.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 71.23 110.903 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.9 t -56.22 -40.14 73.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 72.05 111.131 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 45.2 mtp180 -64.93 -41.34 95.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 72.33 110.901 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.1 t -55.1 -49.83 70.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 64.41 110.829 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -61.45 -40.76 95.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 72.34 110.903 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.8 tmtt? -58.38 -50.03 75.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 73.51 110.851 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -131.94 -72.3 0.54 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 73.41 110.93 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 107.72 152.44 17.39 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.732 -0.747 . . . . 73.22 112.461 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.5 mm? . . . . . 0 C--N 1.329 -0.314 0 CA-C-O 120.86 0.362 . . . . 74.42 110.938 -179.918 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 40.4 t . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.838 0.352 . . . . 72.35 111.097 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -59.23 -42.35 90.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 74.51 110.878 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.76 -49.96 75.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.473 . . . . 71.12 111.109 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 44.8 t -65.05 -39.92 94.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 74.13 110.866 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 20.2 mt -58.54 159.22 12.81 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.663 0.744 . . . . 74.11 110.879 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -8.44 23.61 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.701 2.267 . . . . 74.44 112.366 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -64.97 -109.78 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.755 -0.736 . . . . 63.23 112.496 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.2 pp -157.09 176.65 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.821 0.343 . . . . 63.25 111.102 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.5 pp -108.12 18.59 6.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 71.55 111.127 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -57.89 -48.79 78.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 71.2 110.905 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 65.2 p -60.77 -42.53 97.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 74.04 111.132 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 22.2 mtp85 -56.7 -40.72 76.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 72.22 110.869 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 43.1 t -63.25 -41.5 99.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 71.42 110.854 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 33.9 mm-40 -61.9 -41.46 97.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 75.1 110.935 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.6 tmtm? -58.2 -46.56 85.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 73.3 110.921 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -52.43 -55.66 20.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 75.33 110.912 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -70.23 -137.23 0.12 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.748 -0.739 . . . . 61.32 112.535 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 93.1 mt . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 120.817 0.341 . . . . 75.44 110.89 -179.925 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 86.2 t . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.836 0.351 . . . . 75.52 111.077 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -54.91 -39.81 69.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.215 -0.448 . . . . 75.11 110.868 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -54.81 -39.51 68.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 71.01 111.097 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 12.3 t -54.56 -42.47 71.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 72.43 110.855 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -95.2 156.82 37.33 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.579 0.704 . . . . 74.33 110.942 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 74.21 1.29 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.704 2.269 . . . . 75.03 112.348 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.85 -108.35 2.23 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.731 -0.747 . . . . 74.34 112.454 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 21.2 pt -148.37 158.24 7.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.778 0.323 . . . . 75.34 111.121 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.3 pp -94.94 22.37 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 74.53 111.137 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -65.04 -50.14 67.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 73.44 110.855 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.1 t -62.47 -39.64 94.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.11 -0.495 . . . . 75.35 111.131 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -57.64 -47.68 81.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 72.21 110.877 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 30.1 t -61.92 -43.38 98.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 61.01 110.849 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -61.31 -39.97 92.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 73.41 110.922 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -55.0 -39.95 69.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 74.24 110.901 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -86.35 -27.66 24.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 74.23 110.866 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 96.37 -99.62 2.36 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.693 -0.765 . . . . 62.12 112.526 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.5 mp . . . . . 0 C--N 1.328 -0.329 0 CA-C-O 120.812 0.339 . . . . 74.01 110.909 -179.947 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 27.7 t . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.819 0.343 . . . . 74.21 111.11 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -54.99 -39.96 69.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 75.3 110.916 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -62.05 -40.29 95.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 73.44 111.09 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 10.8 t -62.37 -50.02 73.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 72.42 110.883 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -79.02 155.61 77.38 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.605 0.717 . . . . 74.04 110.925 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 90.04 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.665 2.243 . . . . 74.33 112.371 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.8 -142.4 3.5 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.723 -0.751 . . . . 62.45 112.451 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 28.7 pt -104.67 -178.62 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.818 0.342 . . . . 62.54 111.143 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.3 pp -121.79 21.02 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 73.04 111.098 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -55.69 -50.05 71.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 65.42 110.871 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.1 t -57.92 -39.95 79.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 71.54 111.135 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.6 mtp180 -58.25 -41.91 85.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 73.32 110.855 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.7 t -61.05 -49.36 77.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 75.11 110.823 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 36.6 tp60 -60.24 -43.35 96.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 65.33 110.899 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.7 tptp -60.48 -46.79 88.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 63.15 110.883 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -154.35 151.61 29.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 73.33 110.911 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -111.6 -56.89 0.47 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.735 -0.745 . . . . 72.4 112.516 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.351 0 CA-C-O 120.847 0.356 . . . . 64.0 110.939 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 46.8 t . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.852 0.358 . . . . 74.44 111.106 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -54.83 -50.02 69.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 72.24 110.888 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -63.46 -39.93 95.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 73.05 111.074 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 13.3 t -60.16 -46.55 89.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 65.32 110.865 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -77.09 158.32 80.09 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.599 0.714 . . . . 74.23 110.924 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -7.25 20.58 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.646 2.231 . . . . 73.41 112.372 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -50.83 -89.22 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.748 -0.739 . . . . 72.32 112.49 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 16.1 pt -152.23 -178.08 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.834 0.35 . . . . 74.1 111.106 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.9 pp -117.86 38.15 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 75.33 111.103 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -54.85 -47.4 74.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 75.22 110.873 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.2 t -58.84 -39.78 82.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 65.24 111.11 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.9 mmm180 -60.14 -50.05 75.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 64.54 110.85 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 11.0 t -61.89 -40.85 96.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 63.23 110.895 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 20.1 tm0? -59.08 -40.38 85.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.1 -0.5 . . . . 75.12 110.911 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.2 tmtm? -55.26 -43.97 75.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 71.21 110.892 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -92.18 106.45 18.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 74.35 110.899 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 110.71 75.92 0.83 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.753 -0.737 . . . . 41.0 112.506 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.9 tt . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 120.855 0.36 . . . . 74.02 110.884 -179.906 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 40.1 t . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.815 0.34 . . . . 72.21 111.143 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -59.44 -43.06 93.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 65.23 110.893 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.18 -43.69 95.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 75.42 111.11 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 34.3 m -64.26 -43.08 95.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 72.33 110.857 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.3 mp -73.97 160.62 81.36 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.641 0.734 . . . . 75.54 110.885 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -16.2 37.62 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.745 2.297 . . . . 75.01 112.331 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -58.19 -174.86 0.47 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.771 -0.728 . . . . 70.51 112.488 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -69.54 177.47 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.832 0.349 . . . . 63.5 111.102 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.4 pp -142.15 23.74 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 74.42 111.139 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -55.37 -48.04 74.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 74.35 110.856 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.9 t -55.88 -40.07 72.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 74.33 111.152 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -59.36 -49.89 76.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 73.31 110.9 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.1 t -60.77 -40.04 91.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 74.23 110.827 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 39.7 tt0 -60.93 -42.58 98.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 73.33 110.892 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 20.0 tttp -61.92 -40.16 94.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 71.45 110.883 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -52.69 113.1 0.97 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 74.41 110.901 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 153.66 -31.57 0.76 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.703 -0.761 . . . . 72.33 112.482 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.6 mp . . . . . 0 C--N 1.329 -0.317 0 CA-C-O 120.783 0.325 . . . . 75.2 110.932 -179.958 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 23.8 t . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.824 0.345 . . . . 75.32 111.123 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -59.33 -42.05 90.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 70.35 110.85 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.98 -47.62 76.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 70.51 111.089 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.4 t -62.64 -49.68 74.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 75.41 110.873 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.53 160.63 82.01 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.601 0.715 . . . . 75.43 110.922 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -8.58 23.97 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.695 2.263 . . . . 70.23 112.332 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -54.33 176.59 0.37 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.782 -0.723 . . . . 74.41 112.467 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -63.44 170.92 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.877 0.37 . . . . 75.12 111.099 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.5 pp -131.13 22.75 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 74.55 111.096 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -56.26 -42.09 76.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 74.04 110.858 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.0 t -57.54 -39.95 77.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 74.23 111.132 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 67.0 mtp180 -64.11 -50.0 69.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 73.14 110.848 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 30.0 t -58.21 -47.57 83.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 71.11 110.87 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -64.98 -48.07 75.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 65.45 110.921 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.2 mmtp -56.42 -44.86 80.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 73.44 110.913 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -52.06 115.24 1.6 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 73.04 110.895 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -143.36 -146.11 4.51 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.754 -0.736 . . . . 73.32 112.49 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.8 tt . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 120.794 0.331 . . . . 74.34 110.898 -179.886 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 58.5 t . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.874 0.368 . . . . 71.11 111.127 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -58.64 -40.07 82.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 74.43 110.884 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -54.98 -49.93 70.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 73.23 111.106 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 11.0 t -64.98 -39.98 94.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 70.12 110.903 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 20.3 mt -58.47 159.24 12.55 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.56 0.695 . . . . 74.13 110.971 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -9.96 27.4 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.706 2.27 . . . . 73.01 112.337 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.76 -139.44 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.752 -0.737 . . . . 74.33 112.472 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -117.78 -179.52 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.846 0.355 . . . . 74.21 111.157 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.4 pp -118.4 22.87 5.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 75.14 111.102 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -59.75 -45.72 91.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 74.32 110.871 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.0 t -56.75 -40.03 75.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 74.41 111.149 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 28.0 mtm180 -59.63 -50.0 75.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 73.45 110.857 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.1 t -61.18 -45.81 93.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 72.42 110.849 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -57.05 -44.91 83.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 72.43 110.886 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 36.5 tptt -60.27 -44.32 95.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 74.23 110.901 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -52.49 -57.84 8.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.207 -0.451 . . . . 75.13 110.882 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 158.73 -98.48 0.17 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.7 -0.762 . . . . 63.32 112.472 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-O 120.857 0.361 . . . . 75.24 110.909 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 44.3 t . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.852 0.358 . . . . 74.52 111.147 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -62.91 -43.28 99.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 74.24 110.877 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -62.49 -44.02 97.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 74.32 111.069 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.21 -47.22 80.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 63.23 110.826 -179.727 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -73.42 151.33 89.66 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.557 0.694 . . . . 75.03 110.906 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 66.48 1.78 Allowed 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.73 2.287 . . . . 73.43 112.336 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.85 -144.29 5.73 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.761 -0.733 . . . . 62.0 112.517 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 28.7 pt -103.22 -176.9 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.81 0.338 . . . . 73.4 111.113 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.3 pp -121.35 21.47 5.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 73.44 111.09 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -55.01 -50.0 70.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 75.55 110.869 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.9 t -56.78 -39.92 74.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.138 -0.483 . . . . 73.13 111.154 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 28.5 mmm180 -57.3 -44.37 84.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 74.34 110.839 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 15.4 t -56.74 -40.73 76.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 75.1 110.817 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 17.1 tm0? -58.73 -45.22 90.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.485 . . . . 72.41 110.944 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -58.49 -43.77 89.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 72.43 110.93 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -75.87 101.95 5.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 72.43 110.915 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 103.13 -148.02 17.07 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.738 -0.744 . . . . 64.11 112.47 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.1 pt? . . . . . 0 C--N 1.328 -0.329 0 CA-C-O 120.806 0.336 . . . . 71.35 110.884 -179.925 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 34.9 t . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.902 0.382 . . . . 65.35 111.173 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -55.98 -41.66 75.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 75.12 110.856 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.96 -49.3 76.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 73.24 111.087 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 53.5 m -63.74 -49.14 74.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 75.12 110.862 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.46 150.41 93.88 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.605 0.717 . . . . 73.32 110.921 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 67.93 1.69 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.663 2.242 . . . . 71.24 112.326 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.71 -167.14 12.12 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.752 -0.737 . . . . 74.52 112.466 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 23.1 pt -78.06 176.9 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.811 0.339 . . . . 74.43 111.127 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.3 pp -121.49 21.44 5.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 72.21 111.136 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -56.3 -50.06 72.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 74.13 110.899 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.3 t -60.68 -39.68 89.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 72.05 111.165 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.62 -43.54 76.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.457 . . . . 74.12 110.882 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.4 t -64.53 -43.76 93.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 74.21 110.893 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 19.6 tp60 -62.87 -43.28 99.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.069 -0.514 . . . . 72.25 110.873 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.93 -48.1 83.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 73.43 110.898 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -61.62 -47.5 85.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 72.13 110.919 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 134.19 -76.05 0.4 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.709 -0.758 . . . . 71.21 112.535 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 120.841 0.353 . . . . 70.24 110.934 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 56.3 t . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.813 0.34 . . . . 74.41 111.108 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -56.41 -39.82 73.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 73.01 110.847 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -54.98 -50.13 69.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 65.32 111.055 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.8 m -65.04 -39.98 94.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 72.41 110.891 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.41 160.91 76.51 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.645 0.736 . . . . 75.23 110.947 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -8.15 22.88 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.706 2.271 . . . . 62.31 112.319 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -51.85 171.26 0.35 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.708 -0.758 . . . . 71.34 112.438 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 28.0 pt -65.45 143.38 15.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.784 0.326 . . . . 74.11 111.157 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -83.78 4.52 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 74.0 111.17 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -63.33 -40.0 96.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 74.2 110.898 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 44.2 p -64.75 -50.19 67.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.091 -0.504 . . . . 64.32 111.13 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -65.13 -40.11 94.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 75.24 110.9 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 21.0 t -58.82 -48.86 79.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.471 . . . . 74.23 110.894 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -56.45 -43.62 79.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 70.11 110.911 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 42.9 tptt -64.29 -49.3 72.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 73.23 110.894 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 54.68 36.95 27.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 70.14 110.863 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -90.48 -138.87 7.62 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.743 -0.741 . . . . 52.43 112.458 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.4 pt? . . . . . 0 C--N 1.329 -0.325 0 CA-C-O 120.81 0.338 . . . . 73.4 110.896 -179.933 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 23.2 t . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.825 0.345 . . . . 71.02 111.105 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -60.16 -39.87 87.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 71.24 110.87 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -54.86 -50.06 69.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 72.23 111.123 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.6 m -65.2 -39.96 93.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 74.22 110.842 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.8 mp -73.44 161.11 80.56 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.579 0.704 . . . . 74.34 110.943 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -8.25 23.12 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.717 2.278 . . . . 65.32 112.32 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -52.13 172.08 0.34 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.726 -0.749 . . . . 72.23 112.497 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 23.1 pt -63.52 138.64 22.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.771 0.32 . . . . 72.44 111.146 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -84.32 4.74 2.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.224 -0.444 . . . . 75.44 111.1 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -54.77 -47.65 73.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 75.01 110.894 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.0 t -55.01 -39.96 69.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 73.31 111.12 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -64.53 -48.41 75.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 73.55 110.84 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 23.0 t -64.55 -42.48 95.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 75.32 110.875 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 69.9 tp60 -58.32 -48.94 78.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 75.1 110.863 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.3 ttpp -55.13 -49.7 71.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 72.45 110.871 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -55.33 152.79 7.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.253 -0.43 . . . . 74.33 110.897 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 104.16 -64.26 0.35 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.765 -0.731 . . . . 63.2 112.461 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.7 tt . . . . . 0 C--N 1.328 -0.345 0 CA-C-O 120.829 0.347 . . . . 73.15 110.98 -179.958 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 25.4 t . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.858 0.361 . . . . 75.5 111.169 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -59.47 -39.94 85.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 72.53 110.877 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -54.97 -50.07 69.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 71.45 111.061 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.2 m -65.0 -39.99 94.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 70.01 110.848 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 20.3 mt -76.97 159.22 79.03 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.595 0.712 . . . . 75.43 110.92 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -9.96 27.4 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.702 2.268 . . . . 75.33 112.312 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -52.12 171.74 0.36 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.797 -0.716 . . . . 63.23 112.463 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 30.3 pt -64.76 147.46 12.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.841 0.353 . . . . 75.41 111.161 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -83.29 3.86 2.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 74.51 111.143 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -54.92 -50.02 69.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 75.2 110.879 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -59.98 -41.02 91.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 72.54 111.113 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.0 mmp_? -64.94 -46.21 82.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.454 . . . . 74.43 110.885 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.2 t -63.76 -44.49 93.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 64.33 110.819 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -55.3 -42.85 74.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 70.44 110.896 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.3 tmmm? -58.16 -40.58 81.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 75.43 110.918 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -81.36 124.89 29.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.215 -0.448 . . . . 64.31 110.86 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 161.87 -81.19 0.14 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.692 -0.766 . . . . 64.22 112.454 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-O 120.788 0.328 . . . . 75.4 110.883 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 41.7 t . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.868 0.366 . . . . 74.23 111.176 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -58.26 -40.01 80.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 73.44 110.874 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -54.88 -50.11 69.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 64.53 111.109 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 25.4 t -65.02 -40.0 94.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 74.01 110.853 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 20.2 mt -77.16 159.27 78.44 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.613 0.721 . . . . 74.21 110.938 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -8.53 23.84 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.653 2.235 . . . . 71.22 112.361 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -52.13 171.98 0.35 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.722 -0.751 . . . . 73.4 112.521 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 27.8 pt -64.91 144.33 14.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.861 0.363 . . . . 75.43 111.08 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -83.36 3.95 2.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.489 . . . . 75.43 111.119 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -54.96 -41.76 71.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 70.43 110.895 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.2 p -54.98 -40.16 69.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 64.04 111.141 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 27.2 mtp85 -64.05 -49.62 71.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.424 . . . . 75.33 110.878 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 13.8 t -62.94 -40.4 97.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 72.13 110.863 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -60.58 -40.23 90.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 72.32 110.914 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -59.12 -40.05 84.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 73.12 110.896 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 60.6 34.99 20.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.43 . . . . 75.15 110.908 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 74.14 -156.62 50.41 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.775 -0.726 . . . . 54.1 112.497 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.6 tt . . . . . 0 C--N 1.328 -0.341 0 CA-C-O 120.8 0.334 . . . . 74.21 110.95 -179.944 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 22.0 t . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.815 0.341 . . . . 74.44 111.079 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.41 -39.99 77.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 74.31 110.896 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -54.95 -50.05 69.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 74.42 111.07 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 17.8 m -64.97 -40.05 94.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 75.24 110.863 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.2 mp -70.78 160.7 81.14 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.629 0.728 . . . . 72.12 110.904 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -12.64 33.32 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.662 2.241 . . . . 73.12 112.373 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -52.29 172.23 0.35 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.75 -0.738 . . . . 60.22 112.465 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 16.4 pt -63.81 -171.5 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.753 0.311 . . . . 74.31 111.148 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -126.91 6.09 3.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 73.04 111.103 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -54.56 -49.94 69.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 72.44 110.894 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.0 t -57.17 -40.02 76.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 75.02 111.129 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.5 ttp180 -57.82 -48.07 80.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 75.12 110.864 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 41.6 t -55.76 -43.24 76.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 74.13 110.851 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 48.1 tp60 -63.9 -49.63 71.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 75.1 110.947 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 39.2 mmtt -55.64 -49.1 73.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 73.45 110.913 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -99.31 84.82 3.07 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.168 -0.469 . . . . 74.23 110.881 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -149.43 -112.99 0.64 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.75 -0.738 . . . . 63.35 112.494 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 13.6 tp . . . . . 0 C--N 1.328 -0.345 0 CA-C-O 120.815 0.341 . . . . 73.24 110.912 -179.908 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 54.8 t . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.883 0.373 . . . . 73.41 111.153 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -61.63 -41.04 96.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 74.53 110.868 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -58.1 -50.01 74.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 73.2 111.123 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 27.0 t -64.96 -40.38 94.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 74.33 110.876 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 20.2 mt -70.78 159.21 86.03 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.649 0.738 . . . . 74.22 110.895 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -10.51 28.77 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.697 2.265 . . . . 64.03 112.347 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -53.77 175.14 0.38 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.709 -0.758 . . . . 74.54 112.493 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 17.1 pt -59.65 -173.32 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.851 0.358 . . . . 73.15 111.09 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -132.09 5.13 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 74.12 111.139 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -65.26 -41.27 94.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 73.15 110.865 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 62.4 p -65.05 -50.34 66.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 74.42 111.151 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.23 -39.88 93.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 74.52 110.907 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 33.8 t -63.18 -40.04 96.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 65.41 110.864 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -56.47 -45.7 80.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 72.53 110.922 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.8 mtpp -64.31 -48.11 76.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 74.41 110.892 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 54.19 37.71 27.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 75.31 110.878 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -94.68 -118.11 3.05 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.755 -0.736 . . . . 65.2 112.471 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.2 pt? . . . . . 0 C--N 1.328 -0.34 0 CA-C-O 120.863 0.363 . . . . 75.42 110.891 -179.881 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 40.3 t . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.877 0.37 . . . . 73.53 111.104 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.51 -39.85 94.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 75.32 110.886 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -54.83 -50.11 69.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 64.31 111.075 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 70.8 m -65.09 -39.98 93.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 75.34 110.867 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 20.3 mt -71.96 159.39 85.59 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.65 0.738 . . . . 73.44 110.897 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -8.32 23.32 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.697 2.265 . . . . 75.01 112.349 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -53.21 174.18 0.34 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.765 -0.731 . . . . 74.32 112.492 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.7 pt -67.7 -171.91 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.819 0.343 . . . . 73.54 111.163 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -124.71 6.1 4.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 74.13 111.127 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -54.41 -41.19 69.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 74.41 110.827 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.0 t -55.43 -39.95 70.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 74.14 111.168 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 36.5 mtp180 -65.0 -49.98 68.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 72.44 110.82 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.1 t -55.68 -40.17 71.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 72.32 110.88 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.7 tp60 -62.3 -46.16 90.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.105 -0.498 . . . . 75.34 110.88 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.36 -40.14 93.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 73.42 110.902 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -94.25 80.05 3.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 74.23 110.87 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -151.01 -128.23 1.48 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.756 -0.735 . . . . 74.23 112.503 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 56.1 tp . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 120.816 0.341 . . . . 72.43 110.896 -179.95 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 38.4 t . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.871 0.367 . . . . 74.51 111.162 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -57.16 -47.78 80.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 74.42 110.882 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.63 -49.95 74.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 61.12 111.106 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.0 m -63.9 -39.83 95.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 63.43 110.841 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 20.3 mt -51.64 159.17 1.33 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.63 0.729 . . . . 73.5 110.925 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -8.08 22.69 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.721 2.281 . . . . 70.32 112.311 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -64.23 -108.62 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.73 -0.748 . . . . 61.34 112.521 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -144.49 -176.71 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.814 0.34 . . . . 74.51 111.132 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.3 pp -121.19 21.88 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 73.41 111.172 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -54.93 -47.05 74.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 73.11 110.882 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.5 t -55.01 -39.43 69.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 75.32 111.105 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -64.96 -44.61 88.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 74.25 110.875 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 41.0 m -62.02 -43.33 99.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 64.53 110.884 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.54 -48.83 77.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 73.42 110.914 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? -56.02 -49.21 74.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 74.34 110.926 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -52.05 146.48 8.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 72.12 110.902 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -179.75 172.24 43.91 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.765 -0.731 . . . . 60.31 112.521 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 24.9 mt . . . . . 0 C--N 1.329 -0.323 0 CA-C-O 120.822 0.344 . . . . 74.42 110.945 -179.979 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 59.2 t . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.878 0.37 . . . . 54.24 111.119 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -57.04 -42.23 80.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 73.34 110.893 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.445 ' HB2' ' HG3' ' A' ' 12' ' ' ARG . . . -55.49 -45.94 76.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 75.2 111.122 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.7 m -64.9 -42.23 94.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 60.51 110.87 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.524 HD23 ' HD2' ' A' ' 6' ' ' PRO . 0.2 OUTLIER -73.97 160.66 81.27 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.619 0.723 . . . . 62.12 110.922 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.524 ' HD2' HD23 ' A' ' 5' ' ' LEU . 53.9 Cg_endo -69.79 -16.5 37.45 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.704 2.269 . . . . 73.34 112.298 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -52.18 171.32 0.4 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.742 -0.742 . . . . 51.05 112.478 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 26.3 pt -57.16 146.79 6.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.773 0.32 . . . . 74.52 111.15 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.526 ' O ' HD12 ' A' ' 9' ' ' ILE . 2.3 pp -94.96 23.06 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 74.42 111.171 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -59.27 -48.78 80.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 73.32 110.853 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.7 p -55.39 -42.18 73.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 62.22 111.138 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.445 ' HG3' ' HB2' ' A' ' 3' ' ' ALA . 4.1 ttt180 -56.95 -44.57 82.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 62.21 110.842 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.3 t -58.69 -40.58 84.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 75.22 110.895 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 42.7 tt0 -65.02 -39.95 94.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.107 -0.497 . . . . 73.25 110.929 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 48.2 tttp . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 62.14 110.936 179.916 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 37.2 t . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.876 0.369 . . . . 63.25 111.115 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -63.22 -40.11 96.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 74.24 110.91 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.687 ' HB2' ' HG3' ' A' ' 12' ' ' ARG . . . -55.17 -43.27 74.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 64.12 111.105 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.6 m -61.21 -44.27 97.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 74.13 110.848 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 20.3 mt -52.81 159.24 1.86 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.575 0.702 . . . . 53.25 110.941 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -16.75 37.62 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.704 2.27 . . . . 63.24 112.331 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -65.72 -153.12 0.15 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.728 -0.748 . . . . 50.11 112.483 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.582 HD12 ' HB2' ' A' ' 10' ' ' PHE . 31.2 pt -91.73 -176.2 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.773 0.32 . . . . 62.32 111.168 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.649 HG22 ' HA ' ' A' ' 3' ' ' ALA . 2.4 pp -121.68 23.46 4.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 75.31 111.148 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.582 ' HB2' HD12 ' A' ' 8' ' ' ILE . 28.5 t80 -59.43 -48.93 79.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 74.43 110.895 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 38.8 p -55.74 -40.31 72.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 50.22 111.138 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.687 ' HG3' ' HB2' ' A' ' 3' ' ' ALA . 6.3 mmp_? -62.13 -43.77 98.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 73.3 110.885 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.6 t -63.5 -41.77 98.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 73.43 110.854 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 68.0 tp60 -59.14 -40.2 84.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 72.55 110.923 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.8 mttm . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.435 . . . . 74.34 110.912 179.94 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' VAL . . . . . 0.577 HG12 HD13 ' A' ' 5' ' ' LEU . 39.6 t . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.841 0.353 . . . . 65.2 111.144 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -59.11 -40.26 84.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 73.32 110.91 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.521 ' HB2' ' HD2' ' A' ' 12' ' ' ARG . . . -55.02 -49.96 70.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 74.21 111.107 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 6.1 m -64.97 -40.52 95.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 65.32 110.843 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.577 HD13 HG12 ' A' ' 1' ' ' VAL . 4.1 mp -71.94 160.68 82.0 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.638 0.733 . . . . 74.3 110.941 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 -16.58 37.33 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.672 2.248 . . . . 74.21 112.329 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -52.31 172.09 0.36 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.753 -0.737 . . . . 54.4 112.435 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.623 HD12 ' HB2' ' A' ' 10' ' ' PHE . 31.5 pt -64.49 -177.37 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.785 0.326 . . . . 73.2 111.144 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.3 pp -121.77 21.22 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 62.13 111.124 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.623 ' HB2' HD12 ' A' ' 8' ' ' ILE . 26.6 t80 -55.17 -44.4 75.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 70.24 110.903 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.9 t -56.22 -40.14 73.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 72.05 111.131 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.521 ' HD2' ' HB2' ' A' ' 3' ' ' ALA . 45.2 mtp180 -64.93 -41.34 95.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 70.34 110.901 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.1 t -55.1 -49.83 70.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 63.41 110.829 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -61.45 -40.76 95.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 72.34 110.903 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.8 tmtt? . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 51.51 110.851 179.967 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 40.4 t . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.838 0.352 . . . . 60.13 111.097 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -59.23 -42.35 90.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 74.51 110.878 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.591 ' HA ' HG22 ' A' ' 9' ' ' ILE . . . -59.76 -49.96 75.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.473 . . . . 64.14 111.109 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 44.8 t -65.05 -39.92 94.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 72.51 110.866 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 20.2 mt -58.54 159.22 12.81 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.663 0.744 . . . . 74.11 110.879 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -8.44 23.61 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.701 2.267 . . . . 73.41 112.366 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.443 ' O ' HG23 ' A' ' 8' ' ' ILE . . . -64.97 -109.78 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.755 -0.736 . . . . 54.34 112.496 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.443 HG23 ' O ' ' A' ' 7' ' ' GLY . 1.2 pp -157.09 176.65 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.821 0.343 . . . . 43.24 111.102 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.591 HG22 ' HA ' ' A' ' 3' ' ' ALA . 2.5 pp -108.12 18.59 6.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 71.55 111.127 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -57.89 -48.79 78.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 71.2 110.905 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 65.2 p -60.77 -42.53 97.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 70.21 111.132 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 22.2 mtp85 -56.7 -40.72 76.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 72.22 110.869 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 43.1 t -63.25 -41.5 99.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 71.42 110.854 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 33.9 mm-40 -61.9 -41.46 97.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 64.12 110.935 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.6 tmtm? . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 73.3 110.921 179.917 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 86.2 t . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.836 0.351 . . . . 64.41 111.077 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -54.91 -39.81 69.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.215 -0.448 . . . . 75.11 110.868 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -54.81 -39.51 68.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 71.01 111.097 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 12.3 t -54.56 -42.47 71.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 61.0 110.855 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.486 ' H ' HD12 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -95.2 156.82 37.33 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.579 0.704 . . . . 74.33 110.942 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 74.21 1.29 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.704 2.269 . . . . 75.03 112.348 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.85 -108.35 2.23 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.731 -0.747 . . . . 74.34 112.454 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 21.2 pt -148.37 158.24 7.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.778 0.323 . . . . 65.14 111.121 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.534 ' O ' HD12 ' A' ' 9' ' ' ILE . 2.3 pp -94.94 22.37 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 62.45 111.137 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -65.04 -50.14 67.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 73.44 110.855 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.1 t -62.47 -39.64 94.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.11 -0.495 . . . . 72.24 111.131 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -57.64 -47.68 81.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 72.1 110.877 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 30.1 t -61.92 -43.38 98.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 53.34 110.849 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -61.31 -39.97 92.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 72.34 110.922 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 74.01 110.901 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 1' ' ' VAL . . . . . 0.407 HG12 ' CD2' ' A' ' 5' ' ' LEU . 27.7 t . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.819 0.343 . . . . 74.21 111.11 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -54.99 -39.96 69.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 72.41 110.916 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.522 ' HB2' ' HD2' ' A' ' 12' ' ' ARG . . . -62.05 -40.29 95.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 52.54 111.09 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 10.8 t -62.37 -50.02 73.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 50.11 110.883 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.407 ' CD2' HG12 ' A' ' 1' ' ' VAL . 0.6 OUTLIER -79.02 155.61 77.38 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.605 0.717 . . . . 64.54 110.925 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 90.04 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.665 2.243 . . . . 63.3 112.371 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.8 -142.4 3.5 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.723 -0.751 . . . . 53.34 112.451 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.615 HD12 ' HB2' ' A' ' 10' ' ' PHE . 28.7 pt -104.67 -178.62 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.818 0.342 . . . . 44.04 111.143 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.3 pp -121.79 21.02 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 63.13 111.098 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.615 ' HB2' HD12 ' A' ' 8' ' ' ILE . 15.2 t80 -55.69 -50.05 71.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 65.42 110.871 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.1 t -57.92 -39.95 79.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 63.13 111.135 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.522 ' HD2' ' HB2' ' A' ' 3' ' ' ALA . 11.6 mtp180 -58.25 -41.91 85.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 62.01 110.855 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.7 t -61.05 -49.36 77.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 41.03 110.823 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 36.6 tp60 -60.24 -43.35 96.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 64.01 110.899 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.7 tptp . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 62.32 110.883 179.971 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 46.8 t . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.852 0.358 . . . . 70.53 111.106 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -54.83 -50.02 69.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 61.51 110.888 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -63.46 -39.93 95.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 30.45 111.074 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 13.3 t -60.16 -46.55 89.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 64.23 110.865 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -77.09 158.32 80.09 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.599 0.714 . . . . 74.23 110.924 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -7.25 20.58 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.646 2.231 . . . . 71.42 112.372 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -50.83 -89.22 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.748 -0.739 . . . . 72.32 112.49 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 16.1 pt -152.23 -178.08 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.834 0.35 . . . . 72.31 111.106 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.401 ' C ' HD12 ' A' ' 9' ' ' ILE . 1.9 pp -117.86 38.15 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 63.54 111.103 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -54.85 -47.4 74.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 72.44 110.873 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.2 t -58.84 -39.78 82.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 52.34 111.11 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.9 mmm180 -60.14 -50.05 75.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 64.54 110.85 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 11.0 t -61.89 -40.85 96.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 63.23 110.895 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 20.1 tm0? -59.08 -40.38 85.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.1 -0.5 . . . . 74.44 110.911 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.2 tmtm? . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 60.4 110.892 179.959 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 40.1 t . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.815 0.34 . . . . 65.31 111.143 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -59.44 -43.06 93.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 53.51 110.893 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.18 -43.69 95.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 64.55 111.11 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 34.3 m -64.26 -43.08 95.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 53.52 110.857 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.3 mp -73.97 160.62 81.36 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.641 0.734 . . . . 75.54 110.885 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -16.2 37.62 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.745 2.297 . . . . 72.04 112.331 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -58.19 -174.86 0.47 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.771 -0.728 . . . . 70.51 112.488 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -69.54 177.47 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.832 0.349 . . . . 63.41 111.102 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.52 ' O ' HD12 ' A' ' 9' ' ' ILE . 2.4 pp -142.15 23.74 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 73.24 111.139 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -55.37 -48.04 74.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 74.35 110.856 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.9 t -55.88 -40.07 72.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 64.31 111.152 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -59.36 -49.89 76.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 73.31 110.9 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.1 t -60.77 -40.04 91.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 74.23 110.827 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 39.7 tt0 -60.93 -42.58 98.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 72.3 110.892 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 20.0 tttp . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 70.43 110.883 179.942 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 23.8 t . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.824 0.345 . . . . 64.43 111.123 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -59.33 -42.05 90.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 61.24 110.85 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.454 ' HB2' ' HD2' ' A' ' 12' ' ' ARG . . . -64.98 -47.62 76.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 51.22 111.089 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.4 t -62.64 -49.68 74.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 65.43 110.873 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.572 HD23 ' HD2' ' A' ' 6' ' ' PRO . 0.2 OUTLIER -71.53 160.63 82.01 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.601 0.715 . . . . 73.24 110.922 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.572 ' HD2' HD23 ' A' ' 5' ' ' LEU . 53.6 Cg_endo -69.76 -8.58 23.97 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.695 2.263 . . . . 64.43 112.332 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -54.33 176.59 0.37 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.782 -0.723 . . . . 74.41 112.467 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -63.44 170.92 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.877 0.37 . . . . 54.02 111.099 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.52 ' O ' HD12 ' A' ' 9' ' ' ILE . 2.5 pp -131.13 22.75 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 74.55 111.096 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -56.26 -42.09 76.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 74.04 110.858 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.0 t -57.54 -39.95 77.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 73.52 111.132 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.454 ' HD2' ' HB2' ' A' ' 3' ' ' ALA . 67.0 mtp180 -64.11 -50.0 69.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 73.14 110.848 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 30.0 t -58.21 -47.57 83.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 71.11 110.87 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -64.98 -48.07 75.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 65.45 110.921 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.2 mmtp . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 73.44 110.913 179.947 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 58.5 t . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.874 0.368 . . . . 71.11 111.127 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -58.64 -40.07 82.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 74.43 110.884 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.617 ' HB2' ' NE ' ' A' ' 12' ' ' ARG . . . -54.98 -49.93 70.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 52.32 111.106 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 11.0 t -64.98 -39.98 94.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 70.11 110.903 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 20.3 mt -58.47 159.24 12.55 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.56 0.695 . . . . 73.14 110.971 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -9.96 27.4 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.706 2.27 . . . . 73.01 112.337 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.76 -139.44 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.752 -0.737 . . . . 74.12 112.472 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.484 HD13 ' H ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -117.78 -179.52 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.846 0.355 . . . . 64.14 111.157 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.616 HG22 ' HA ' ' A' ' 3' ' ' ALA . 2.4 pp -118.4 22.87 5.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 70.13 111.102 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -59.75 -45.72 91.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 63.0 110.871 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.0 t -56.75 -40.03 75.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 74.41 111.149 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.617 ' NE ' ' HB2' ' A' ' 3' ' ' ALA . 28.0 mtm180 -59.63 -50.0 75.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 70.45 110.857 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.1 t -61.18 -45.81 93.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 72.42 110.849 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -57.05 -44.91 83.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 64.43 110.886 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 36.5 tptt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 74.23 110.901 179.949 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 44.3 t . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.852 0.358 . . . . 74.11 111.147 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -62.91 -43.28 99.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 71.15 110.877 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -62.49 -44.02 97.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 74.32 111.069 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.21 -47.22 80.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 63.23 110.826 -179.727 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.423 HD23 ' HD2' ' A' ' 6' ' ' PRO . 0.0 OUTLIER -73.42 151.33 89.66 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.557 0.694 . . . . 75.03 110.906 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.423 ' HD2' HD23 ' A' ' 5' ' ' LEU . 53.8 Cg_endo -69.78 66.48 1.78 Allowed 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.73 2.287 . . . . 73.43 112.336 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.85 -144.29 5.73 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.761 -0.733 . . . . 62.0 112.517 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 28.7 pt -103.22 -176.9 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.81 0.338 . . . . 73.4 111.113 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.3 pp -121.35 21.47 5.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 73.44 111.09 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -55.01 -50.0 70.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 75.55 110.869 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.9 t -56.78 -39.92 74.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.138 -0.483 . . . . 65.32 111.154 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 28.5 mmm180 -57.3 -44.37 84.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 64.54 110.839 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 15.4 t -56.74 -40.73 76.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 75.1 110.817 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 17.1 tm0? -58.73 -45.22 90.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.485 . . . . 70.44 110.944 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 53.12 110.93 179.958 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 34.9 t . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.902 0.382 . . . . 65.35 111.173 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -55.98 -41.66 75.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 75.12 110.856 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.96 -49.3 76.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 73.24 111.087 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 53.5 m -63.74 -49.14 74.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 75.12 110.862 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.46 150.41 93.88 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.605 0.717 . . . . 53.12 110.921 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 67.93 1.69 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.663 2.242 . . . . 62.23 112.326 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.71 -167.14 12.12 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.752 -0.737 . . . . 74.52 112.466 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.596 HD12 ' HB2' ' A' ' 10' ' ' PHE . 23.1 pt -78.06 176.9 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.811 0.339 . . . . 64.22 111.127 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.3 pp -121.49 21.44 5.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 70.23 111.136 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.596 ' HB2' HD12 ' A' ' 8' ' ' ILE . 2.2 t80 -56.3 -50.06 72.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 74.13 110.899 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.494 HG23 ' HD2' ' A' ' 12' ' ' ARG . 6.3 t -60.68 -39.68 89.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 72.05 111.165 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.494 ' HD2' HG23 ' A' ' 11' ' ' THR . 0.0 OUTLIER -55.62 -43.54 76.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.457 . . . . 74.12 110.882 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.4 t -64.53 -43.76 93.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 72.5 110.893 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 19.6 tp60 -62.87 -43.28 99.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.069 -0.514 . . . . 64.25 110.873 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 73.42 110.898 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 56.3 t . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.813 0.34 . . . . 74.41 111.108 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -56.41 -39.82 73.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 71.41 110.847 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -54.98 -50.13 69.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 51.45 111.055 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.8 m -65.04 -39.98 94.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 62.11 110.891 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.575 HD23 ' HD2' ' A' ' 6' ' ' PRO . 0.2 OUTLIER -76.41 160.91 76.51 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.645 0.736 . . . . 71.25 110.947 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.575 ' HD2' HD23 ' A' ' 5' ' ' LEU . 53.7 Cg_endo -69.8 -8.15 22.88 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.706 2.271 . . . . 53.23 112.319 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -51.85 171.26 0.35 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.708 -0.758 . . . . 64.24 112.438 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 28.0 pt -65.45 143.38 15.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.784 0.326 . . . . 74.11 111.157 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -83.78 4.52 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 65.02 111.17 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -63.33 -40.0 96.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 74.2 110.898 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 44.2 p -64.75 -50.19 67.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.091 -0.504 . . . . 54.11 111.13 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -65.13 -40.11 94.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 63.43 110.9 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 21.0 t -58.82 -48.86 79.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.471 . . . . 74.23 110.894 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -56.45 -43.62 79.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 70.11 110.911 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 42.9 tptt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 72.23 110.894 179.977 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 23.2 t . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.825 0.345 . . . . 71.02 111.105 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -60.16 -39.87 87.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 71.24 110.87 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.76 ' HB2' ' HD2' ' A' ' 12' ' ' ARG . . . -54.86 -50.06 69.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 64.33 111.123 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.6 m -65.2 -39.96 93.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 74.22 110.842 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.8 mp -73.44 161.11 80.56 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.579 0.704 . . . . 74.23 110.943 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -8.25 23.12 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.717 2.278 . . . . 65.32 112.32 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -52.13 172.08 0.34 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.726 -0.749 . . . . 72.23 112.497 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 23.1 pt -63.52 138.64 22.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.771 0.32 . . . . 72.44 111.146 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -84.32 4.74 2.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.224 -0.444 . . . . 75.44 111.1 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -54.77 -47.65 73.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 75.01 110.894 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.0 t -55.01 -39.96 69.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 70.25 111.12 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.76 ' HD2' ' HB2' ' A' ' 3' ' ' ALA . 2.5 mmp_? -64.53 -48.41 75.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 73.55 110.84 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 23.0 t -64.55 -42.48 95.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 72.34 110.875 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 69.9 tp60 -58.32 -48.94 78.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 75.1 110.863 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.3 ttpp . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 72.45 110.871 179.983 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 25.4 t . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.858 0.361 . . . . 75.5 111.169 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -59.47 -39.94 85.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 72.53 110.877 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.413 ' HB2' ' HD2' ' A' ' 12' ' ' ARG . . . -54.97 -50.07 69.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 54.43 111.061 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.2 m -65.0 -39.99 94.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 63.41 110.848 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 20.3 mt -76.97 159.22 79.03 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.595 0.712 . . . . 72.32 110.92 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -9.96 27.4 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.702 2.268 . . . . 72.42 112.312 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -52.12 171.74 0.36 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.797 -0.716 . . . . 63.23 112.463 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.52 HD12 ' HB2' ' A' ' 10' ' ' PHE . 30.3 pt -64.76 147.46 12.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.841 0.353 . . . . 72.13 111.161 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -83.29 3.86 2.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 72.33 111.143 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.52 ' HB2' HD12 ' A' ' 8' ' ' ILE . 0.4 OUTLIER -54.92 -50.02 69.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 72.53 110.879 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -59.98 -41.02 91.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 63.4 111.113 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.413 ' HD2' ' HB2' ' A' ' 3' ' ' ALA . 6.0 mmp_? -64.94 -46.21 82.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.454 . . . . 72.24 110.885 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.2 t -63.76 -44.49 93.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 62.23 110.819 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -55.3 -42.85 74.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 53.21 110.896 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.3 tmmm? . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 75.43 110.918 179.987 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 41.7 t . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.868 0.366 . . . . 74.23 111.176 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -58.26 -40.01 80.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 73.44 110.874 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.676 ' HB2' ' HD2' ' A' ' 12' ' ' ARG . . . -54.88 -50.11 69.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 64.53 111.109 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 25.4 t -65.02 -40.0 94.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 44.3 110.853 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 20.2 mt -77.16 159.27 78.44 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.613 0.721 . . . . 74.21 110.938 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -8.53 23.84 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.653 2.235 . . . . 42.04 112.361 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -52.13 171.98 0.35 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.722 -0.751 . . . . 73.4 112.521 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.485 HD12 ' HB2' ' A' ' 10' ' ' PHE . 27.8 pt -64.91 144.33 14.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.861 0.363 . . . . 75.43 111.08 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -83.36 3.95 2.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.489 . . . . 62.01 111.119 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.485 ' HB2' HD12 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -54.96 -41.76 71.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 65.12 110.895 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.2 p -54.98 -40.16 69.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 64.04 111.141 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.676 ' HD2' ' HB2' ' A' ' 3' ' ' ALA . 27.2 mtp85 -64.05 -49.62 71.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.424 . . . . 75.33 110.878 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 13.8 t -62.94 -40.4 97.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 72.13 110.863 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -60.58 -40.23 90.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 72.32 110.914 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 73.12 110.896 179.972 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 22.0 t . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.815 0.341 . . . . 72.11 111.079 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.41 -39.99 77.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 71.54 110.896 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -54.95 -50.05 69.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 74.42 111.07 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 17.8 m -64.97 -40.05 94.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 75.24 110.863 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.2 mp -70.78 160.7 81.14 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.629 0.728 . . . . 62.14 110.904 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -12.64 33.32 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.662 2.241 . . . . 53.14 112.373 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -52.29 172.23 0.35 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.75 -0.738 . . . . 60.22 112.465 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.624 HD12 ' HB2' ' A' ' 10' ' ' PHE . 16.4 pt -63.81 -171.5 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.753 0.311 . . . . 74.31 111.148 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.514 ' H ' HD13 ' A' ' 9' ' ' ILE . 0.1 OUTLIER -126.91 6.09 3.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 70.13 111.103 179.849 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.624 ' HB2' HD12 ' A' ' 8' ' ' ILE . 0.5 OUTLIER -54.56 -49.94 69.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 72.44 110.894 179.913 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.0 t -57.17 -40.02 76.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 75.02 111.129 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.5 ttp180 -57.82 -48.07 80.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 72.13 110.864 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 41.6 t -55.76 -43.24 76.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 74.13 110.851 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 48.1 tp60 -63.9 -49.63 71.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 75.1 110.947 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 39.2 mmtt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 72.45 110.913 179.974 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 54.8 t . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.883 0.373 . . . . 73.41 111.153 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -61.63 -41.04 96.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 72.41 110.868 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.475 ' HB2' ' NH1' ' A' ' 12' ' ' ARG . . . -58.1 -50.01 74.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 54.33 111.123 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 27.0 t -64.96 -40.38 94.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 74.32 110.876 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 20.2 mt -70.78 159.21 86.03 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.649 0.738 . . . . 74.22 110.895 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -10.51 28.77 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.697 2.265 . . . . 61.35 112.347 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -53.77 175.14 0.38 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.709 -0.758 . . . . 74.54 112.493 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 17.1 pt -59.65 -173.32 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.851 0.358 . . . . 73.15 111.09 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.468 ' H ' HD13 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -132.09 5.13 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 74.12 111.139 179.902 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -65.26 -41.27 94.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 73.15 110.865 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 62.4 p -65.05 -50.34 66.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 74.42 111.151 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.475 ' NH1' ' HB2' ' A' ' 3' ' ' ALA . 0.0 OUTLIER -65.23 -39.88 93.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 74.52 110.907 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 33.8 t -63.18 -40.04 96.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 54.24 110.864 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -56.47 -45.7 80.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 72.53 110.922 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.8 mtpp . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 74.33 110.892 179.988 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 40.3 t . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.877 0.37 . . . . 44.2 111.104 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.51 -39.85 94.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 73.15 110.886 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -54.83 -50.11 69.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 64.13 111.075 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 70.8 m -65.09 -39.98 93.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 75.34 110.867 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 20.3 mt -71.96 159.39 85.59 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.65 0.738 . . . . 73.44 110.897 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -8.32 23.32 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.697 2.265 . . . . 75.01 112.349 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -53.21 174.18 0.34 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.765 -0.731 . . . . 74.32 112.492 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.7 pt -67.7 -171.91 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.819 0.343 . . . . 64.31 111.163 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.499 ' H ' HD13 ' A' ' 9' ' ' ILE . 0.1 OUTLIER -124.71 6.1 4.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 53.04 111.127 179.888 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -54.41 -41.19 69.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 74.41 110.827 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.0 t -55.43 -39.95 70.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 74.14 111.168 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 36.5 mtp180 -65.0 -49.98 68.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 63.34 110.82 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.1 t -55.68 -40.17 71.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 71.42 110.88 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.7 tp60 -62.3 -46.16 90.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.105 -0.498 . . . . 61.35 110.88 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 53.14 110.902 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 38.4 t . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.871 0.367 . . . . 74.51 111.162 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -57.16 -47.78 80.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 73.44 110.882 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.63 -49.95 74.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 61.12 111.106 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.0 m -63.9 -39.83 95.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 60.12 110.841 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 20.3 mt -51.64 159.17 1.33 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.63 0.729 . . . . 72.55 110.925 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -8.08 22.69 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.721 2.281 . . . . 70.32 112.311 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -64.23 -108.62 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.73 -0.748 . . . . 54.13 112.521 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -144.49 -176.71 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.814 0.34 . . . . 73.35 111.132 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.3 pp -121.19 21.88 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 73.41 111.172 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -54.93 -47.05 74.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 73.11 110.882 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.48 HG23 ' HD2' ' A' ' 12' ' ' ARG . 7.5 t -55.01 -39.43 69.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 75.32 111.105 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.48 ' HD2' HG23 ' A' ' 11' ' ' THR . 1.4 mpt_? -64.96 -44.61 88.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 70.31 110.875 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 41.0 m -62.02 -43.33 99.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 64.53 110.884 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.54 -48.83 77.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 70.4 110.914 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 72.53 110.926 179.961 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 59.2 t . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.878 0.37 . . . . 54.24 111.119 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -57.04 -42.23 80.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 73.34 110.893 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.445 ' HB2' ' HG3' ' A' ' 12' ' ' ARG . . . -55.49 -45.94 76.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 75.2 111.122 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.7 m -64.9 -42.23 94.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 60.51 110.87 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.524 HD23 ' HD2' ' A' ' 6' ' ' PRO . 0.2 OUTLIER -73.97 160.66 81.27 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.619 0.723 . . . . 62.12 110.922 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.524 ' HD2' HD23 ' A' ' 5' ' ' LEU . 53.9 Cg_endo -69.79 -16.5 37.45 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.704 2.269 . . . . 73.34 112.298 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -52.18 171.32 0.4 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.742 -0.742 . . . . 51.05 112.478 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 26.3 pt -57.16 146.79 6.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.773 0.32 . . . . 74.52 111.15 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.526 ' O ' HD12 ' A' ' 9' ' ' ILE . 2.3 pp -94.96 23.06 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 74.42 111.171 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -59.27 -48.78 80.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 73.32 110.853 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.7 p -55.39 -42.18 73.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 62.22 111.138 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.445 ' HG3' ' HB2' ' A' ' 3' ' ' ALA . 4.1 ttt180 -56.95 -44.57 82.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 62.21 110.842 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.3 t -58.69 -40.58 84.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 75.22 110.895 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 42.7 tt0 -65.02 -39.95 94.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.107 -0.497 . . . . 73.25 110.929 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 48.2 tttp -54.96 -39.96 69.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 62.14 110.936 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 24.5 tp10 -87.78 -25.94 23.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 74.44 110.908 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 144.48 -104.05 0.32 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.746 -0.74 . . . . 54.44 112.514 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.4 tt . . . . . 0 C--N 1.329 -0.304 0 CA-C-O 120.889 0.376 . . . . 74.5 110.912 -179.97 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 37.2 t . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.876 0.369 . . . . 63.25 111.115 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -63.22 -40.11 96.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 74.24 110.91 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.687 ' HB2' ' HG3' ' A' ' 12' ' ' ARG . . . -55.17 -43.27 74.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 64.12 111.105 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.6 m -61.21 -44.27 97.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 74.13 110.848 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 20.3 mt -52.81 159.24 1.86 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.575 0.702 . . . . 53.25 110.941 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -16.75 37.62 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.704 2.27 . . . . 63.24 112.331 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -65.72 -153.12 0.15 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.728 -0.748 . . . . 50.11 112.483 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.582 HD12 ' HB2' ' A' ' 10' ' ' PHE . 31.2 pt -91.73 -176.2 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.773 0.32 . . . . 62.32 111.168 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.649 HG22 ' HA ' ' A' ' 3' ' ' ALA . 2.4 pp -121.68 23.46 4.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 75.31 111.148 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.582 ' HB2' HD12 ' A' ' 8' ' ' ILE . 28.5 t80 -59.43 -48.93 79.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 74.43 110.895 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 38.8 p -55.74 -40.31 72.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 50.22 111.138 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.687 ' HG3' ' HB2' ' A' ' 3' ' ' ALA . 6.3 mmp_? -62.13 -43.77 98.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 73.3 110.885 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.6 t -63.5 -41.77 98.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 73.43 110.854 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 68.0 tp60 -59.14 -40.2 84.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 72.55 110.923 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.8 mttm -56.0 -48.92 75.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.435 . . . . 74.34 110.912 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -92.25 109.51 20.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 75.05 110.909 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 105.83 177.4 23.81 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.736 -0.745 . . . . 71.33 112.515 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.8 mp . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 120.848 0.356 . . . . 74.21 110.881 -179.896 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.577 HG12 HD13 ' A' ' 5' ' ' LEU . 39.6 t . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.841 0.353 . . . . 65.2 111.144 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -59.11 -40.26 84.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 73.32 110.91 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.521 ' HB2' ' HD2' ' A' ' 12' ' ' ARG . . . -55.02 -49.96 70.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 74.21 111.107 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 6.1 m -64.97 -40.52 95.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 65.32 110.843 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.577 HD13 HG12 ' A' ' 1' ' ' VAL . 4.1 mp -71.94 160.68 82.0 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.638 0.733 . . . . 74.3 110.941 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 -16.58 37.33 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.672 2.248 . . . . 74.21 112.329 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -52.31 172.09 0.36 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.753 -0.737 . . . . 54.4 112.435 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.623 HD12 ' HB2' ' A' ' 10' ' ' PHE . 31.5 pt -64.49 -177.37 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.785 0.326 . . . . 73.2 111.144 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.3 pp -121.77 21.22 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 62.13 111.124 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.623 ' HB2' HD12 ' A' ' 8' ' ' ILE . 26.6 t80 -55.17 -44.4 75.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 70.24 110.903 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.9 t -56.22 -40.14 73.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 72.05 111.131 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.521 ' HD2' ' HB2' ' A' ' 3' ' ' ALA . 45.2 mtp180 -64.93 -41.34 95.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 70.34 110.901 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.1 t -55.1 -49.83 70.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 63.41 110.829 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -61.45 -40.76 95.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 72.34 110.903 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.8 tmtt? -58.38 -50.03 75.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 51.51 110.851 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -131.94 -72.3 0.54 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 73.41 110.93 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.428 ' C ' HD22 ' A' ' 18' ' ' LEU . . . 107.72 152.44 17.39 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.732 -0.747 . . . . 71.13 112.461 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.428 HD22 ' C ' ' A' ' 17' ' ' GLY . 4.5 mm? . . . . . 0 C--N 1.329 -0.314 0 CA-C-O 120.86 0.362 . . . . 52.22 110.938 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 40.4 t . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.838 0.352 . . . . 60.13 111.097 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -59.23 -42.35 90.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 74.51 110.878 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.591 ' HA ' HG22 ' A' ' 9' ' ' ILE . . . -59.76 -49.96 75.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.473 . . . . 64.14 111.109 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 44.8 t -65.05 -39.92 94.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 72.51 110.866 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 20.2 mt -58.54 159.22 12.81 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.663 0.744 . . . . 74.11 110.879 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -8.44 23.61 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.701 2.267 . . . . 73.41 112.366 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.443 ' O ' HG23 ' A' ' 8' ' ' ILE . . . -64.97 -109.78 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.755 -0.736 . . . . 54.34 112.496 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.443 HG23 ' O ' ' A' ' 7' ' ' GLY . 1.2 pp -157.09 176.65 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.821 0.343 . . . . 43.24 111.102 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.591 HG22 ' HA ' ' A' ' 3' ' ' ALA . 2.5 pp -108.12 18.59 6.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 71.55 111.127 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -57.89 -48.79 78.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 71.2 110.905 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 65.2 p -60.77 -42.53 97.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 70.21 111.132 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 22.2 mtp85 -56.7 -40.72 76.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 72.22 110.869 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 43.1 t -63.25 -41.5 99.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 71.42 110.854 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 33.9 mm-40 -61.9 -41.46 97.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 64.12 110.935 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.6 tmtm? -58.2 -46.56 85.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 73.3 110.921 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -52.43 -55.66 20.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 73.34 110.912 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -70.23 -137.23 0.12 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.748 -0.739 . . . . 45.44 112.535 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 93.1 mt . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 120.817 0.341 . . . . 75.44 110.89 -179.925 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 86.2 t . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.836 0.351 . . . . 64.41 111.077 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -54.91 -39.81 69.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.215 -0.448 . . . . 75.11 110.868 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -54.81 -39.51 68.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 71.01 111.097 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 12.3 t -54.56 -42.47 71.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 61.0 110.855 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.486 ' H ' HD12 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -95.2 156.82 37.33 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.579 0.704 . . . . 74.33 110.942 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 74.21 1.29 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.704 2.269 . . . . 75.03 112.348 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.85 -108.35 2.23 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.731 -0.747 . . . . 74.34 112.454 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 21.2 pt -148.37 158.24 7.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.778 0.323 . . . . 65.14 111.121 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.534 ' O ' HD12 ' A' ' 9' ' ' ILE . 2.3 pp -94.94 22.37 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 62.45 111.137 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -65.04 -50.14 67.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 73.44 110.855 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.1 t -62.47 -39.64 94.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.11 -0.495 . . . . 72.24 111.131 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -57.64 -47.68 81.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 72.1 110.877 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 30.1 t -61.92 -43.38 98.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 53.34 110.849 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -61.31 -39.97 92.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 72.34 110.922 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -55.0 -39.95 69.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 74.01 110.901 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -86.35 -27.66 24.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 74.23 110.866 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 96.37 -99.62 2.36 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.693 -0.765 . . . . 34.43 112.526 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.5 mp . . . . . 0 C--N 1.328 -0.329 0 CA-C-O 120.812 0.339 . . . . 74.01 110.909 -179.947 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.407 HG12 ' CD2' ' A' ' 5' ' ' LEU . 27.7 t . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.819 0.343 . . . . 74.21 111.11 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -54.99 -39.96 69.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 72.41 110.916 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.522 ' HB2' ' HD2' ' A' ' 12' ' ' ARG . . . -62.05 -40.29 95.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 52.54 111.09 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 10.8 t -62.37 -50.02 73.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 50.11 110.883 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.407 ' CD2' HG12 ' A' ' 1' ' ' VAL . 0.6 OUTLIER -79.02 155.61 77.38 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.605 0.717 . . . . 64.54 110.925 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 90.04 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.665 2.243 . . . . 63.3 112.371 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.8 -142.4 3.5 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.723 -0.751 . . . . 53.34 112.451 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.615 HD12 ' HB2' ' A' ' 10' ' ' PHE . 28.7 pt -104.67 -178.62 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.818 0.342 . . . . 44.04 111.143 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.3 pp -121.79 21.02 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 63.13 111.098 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.615 ' HB2' HD12 ' A' ' 8' ' ' ILE . 15.2 t80 -55.69 -50.05 71.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 65.42 110.871 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.1 t -57.92 -39.95 79.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 63.13 111.135 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.522 ' HD2' ' HB2' ' A' ' 3' ' ' ALA . 11.6 mtp180 -58.25 -41.91 85.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 62.01 110.855 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.7 t -61.05 -49.36 77.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 41.03 110.823 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 36.6 tp60 -60.24 -43.35 96.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 64.01 110.899 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.7 tptp -60.48 -46.79 88.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 62.32 110.883 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -154.35 151.61 29.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 61.23 110.911 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -111.6 -56.89 0.47 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.735 -0.745 . . . . 72.4 112.516 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.351 0 CA-C-O 120.847 0.356 . . . . 43.02 110.939 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 46.8 t . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.852 0.358 . . . . 70.53 111.106 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -54.83 -50.02 69.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 61.51 110.888 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -63.46 -39.93 95.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 30.45 111.074 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 13.3 t -60.16 -46.55 89.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 64.23 110.865 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -77.09 158.32 80.09 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.599 0.714 . . . . 74.23 110.924 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -7.25 20.58 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.646 2.231 . . . . 71.42 112.372 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -50.83 -89.22 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.748 -0.739 . . . . 72.32 112.49 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 16.1 pt -152.23 -178.08 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.834 0.35 . . . . 72.31 111.106 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.401 ' C ' HD12 ' A' ' 9' ' ' ILE . 1.9 pp -117.86 38.15 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 63.54 111.103 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -54.85 -47.4 74.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 72.44 110.873 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.2 t -58.84 -39.78 82.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 52.34 111.11 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.9 mmm180 -60.14 -50.05 75.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 64.54 110.85 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 11.0 t -61.89 -40.85 96.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 63.23 110.895 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 20.1 tm0? -59.08 -40.38 85.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.1 -0.5 . . . . 74.44 110.911 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.2 tmtm? -55.26 -43.97 75.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 60.4 110.892 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -92.18 106.45 18.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 64.2 110.899 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 110.71 75.92 0.83 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.753 -0.737 . . . . 41.0 112.506 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.9 tt . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 120.855 0.36 . . . . 61.21 110.884 -179.906 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 40.1 t . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.815 0.34 . . . . 65.31 111.143 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -59.44 -43.06 93.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 53.51 110.893 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.18 -43.69 95.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 64.55 111.11 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 34.3 m -64.26 -43.08 95.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 53.52 110.857 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.3 mp -73.97 160.62 81.36 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.641 0.734 . . . . 75.54 110.885 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -16.2 37.62 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.745 2.297 . . . . 72.04 112.331 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -58.19 -174.86 0.47 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.771 -0.728 . . . . 70.51 112.488 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -69.54 177.47 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.832 0.349 . . . . 63.41 111.102 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.52 ' O ' HD12 ' A' ' 9' ' ' ILE . 2.4 pp -142.15 23.74 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 73.24 111.139 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -55.37 -48.04 74.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 74.35 110.856 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.9 t -55.88 -40.07 72.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 64.31 111.152 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -59.36 -49.89 76.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 73.31 110.9 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.1 t -60.77 -40.04 91.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 74.23 110.827 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 39.7 tt0 -60.93 -42.58 98.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 72.3 110.892 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 20.0 tttp -61.92 -40.16 94.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 70.43 110.883 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -52.69 113.1 0.97 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 74.41 110.901 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 153.66 -31.57 0.76 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.703 -0.761 . . . . 63.21 112.482 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.6 mp . . . . . 0 C--N 1.329 -0.317 0 CA-C-O 120.783 0.325 . . . . 51.24 110.932 -179.958 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 23.8 t . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.824 0.345 . . . . 64.43 111.123 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -59.33 -42.05 90.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 61.24 110.85 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.454 ' HB2' ' HD2' ' A' ' 12' ' ' ARG . . . -64.98 -47.62 76.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 51.22 111.089 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.4 t -62.64 -49.68 74.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 65.43 110.873 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.572 HD23 ' HD2' ' A' ' 6' ' ' PRO . 0.2 OUTLIER -71.53 160.63 82.01 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.601 0.715 . . . . 73.24 110.922 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.572 ' HD2' HD23 ' A' ' 5' ' ' LEU . 53.6 Cg_endo -69.76 -8.58 23.97 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.695 2.263 . . . . 64.43 112.332 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -54.33 176.59 0.37 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.782 -0.723 . . . . 74.41 112.467 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -63.44 170.92 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.877 0.37 . . . . 54.02 111.099 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.52 ' O ' HD12 ' A' ' 9' ' ' ILE . 2.5 pp -131.13 22.75 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 74.55 111.096 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -56.26 -42.09 76.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 74.04 110.858 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.0 t -57.54 -39.95 77.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 73.52 111.132 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.454 ' HD2' ' HB2' ' A' ' 3' ' ' ALA . 67.0 mtp180 -64.11 -50.0 69.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 73.14 110.848 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 30.0 t -58.21 -47.57 83.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 71.11 110.87 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -64.98 -48.07 75.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 65.45 110.921 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.2 mmtp -56.42 -44.86 80.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 73.44 110.913 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -52.06 115.24 1.6 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 73.04 110.895 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -143.36 -146.11 4.51 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.754 -0.736 . . . . 73.32 112.49 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.8 tt . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 120.794 0.331 . . . . 74.34 110.898 -179.886 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 58.5 t . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.874 0.368 . . . . 71.11 111.127 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -58.64 -40.07 82.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 74.43 110.884 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.617 ' HB2' ' NE ' ' A' ' 12' ' ' ARG . . . -54.98 -49.93 70.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 52.32 111.106 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 11.0 t -64.98 -39.98 94.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 70.11 110.903 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 20.3 mt -58.47 159.24 12.55 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.56 0.695 . . . . 73.14 110.971 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -9.96 27.4 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.706 2.27 . . . . 73.01 112.337 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.76 -139.44 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.752 -0.737 . . . . 74.12 112.472 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.484 HD13 ' H ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -117.78 -179.52 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.846 0.355 . . . . 64.14 111.157 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.616 HG22 ' HA ' ' A' ' 3' ' ' ALA . 2.4 pp -118.4 22.87 5.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 70.13 111.102 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -59.75 -45.72 91.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 63.0 110.871 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.0 t -56.75 -40.03 75.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 74.41 111.149 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.617 ' NE ' ' HB2' ' A' ' 3' ' ' ALA . 28.0 mtm180 -59.63 -50.0 75.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 70.45 110.857 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.1 t -61.18 -45.81 93.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 72.42 110.849 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -57.05 -44.91 83.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 64.43 110.886 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 36.5 tptt -60.27 -44.32 95.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 74.23 110.901 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -52.49 -57.84 8.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.207 -0.451 . . . . 61.24 110.882 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 158.73 -98.48 0.17 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.7 -0.762 . . . . 53.23 112.472 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.418 ' O ' HD13 ' A' ' 18' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-O 120.857 0.361 . . . . 73.11 110.909 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 44.3 t . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.852 0.358 . . . . 74.11 111.147 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -62.91 -43.28 99.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 71.15 110.877 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -62.49 -44.02 97.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 74.32 111.069 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.21 -47.22 80.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 63.23 110.826 -179.727 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.423 HD23 ' HD2' ' A' ' 6' ' ' PRO . 0.0 OUTLIER -73.42 151.33 89.66 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.557 0.694 . . . . 75.03 110.906 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.423 ' HD2' HD23 ' A' ' 5' ' ' LEU . 53.8 Cg_endo -69.78 66.48 1.78 Allowed 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.73 2.287 . . . . 73.43 112.336 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.85 -144.29 5.73 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.761 -0.733 . . . . 62.0 112.517 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 28.7 pt -103.22 -176.9 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.81 0.338 . . . . 73.4 111.113 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.3 pp -121.35 21.47 5.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 73.44 111.09 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -55.01 -50.0 70.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 75.55 110.869 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.9 t -56.78 -39.92 74.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.138 -0.483 . . . . 65.32 111.154 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 28.5 mmm180 -57.3 -44.37 84.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 64.54 110.839 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 15.4 t -56.74 -40.73 76.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 75.1 110.817 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 17.1 tm0? -58.73 -45.22 90.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.485 . . . . 70.44 110.944 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -58.49 -43.77 89.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 53.12 110.93 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -75.87 101.95 5.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 72.43 110.915 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 103.13 -148.02 17.07 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.738 -0.744 . . . . 64.11 112.47 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.1 pt? . . . . . 0 C--N 1.328 -0.329 0 CA-C-O 120.806 0.336 . . . . 63.11 110.884 -179.925 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 34.9 t . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.902 0.382 . . . . 65.35 111.173 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -55.98 -41.66 75.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 75.12 110.856 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.96 -49.3 76.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 73.24 111.087 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 53.5 m -63.74 -49.14 74.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 75.12 110.862 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.46 150.41 93.88 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.605 0.717 . . . . 53.12 110.921 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 67.93 1.69 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.663 2.242 . . . . 62.23 112.326 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.71 -167.14 12.12 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.752 -0.737 . . . . 74.52 112.466 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.596 HD12 ' HB2' ' A' ' 10' ' ' PHE . 23.1 pt -78.06 176.9 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.811 0.339 . . . . 64.22 111.127 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.3 pp -121.49 21.44 5.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 70.23 111.136 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.596 ' HB2' HD12 ' A' ' 8' ' ' ILE . 2.2 t80 -56.3 -50.06 72.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 74.13 110.899 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.494 HG23 ' HD2' ' A' ' 12' ' ' ARG . 6.3 t -60.68 -39.68 89.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 72.05 111.165 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.494 ' HD2' HG23 ' A' ' 11' ' ' THR . 0.0 OUTLIER -55.62 -43.54 76.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.457 . . . . 74.12 110.882 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.4 t -64.53 -43.76 93.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 72.5 110.893 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 19.6 tp60 -62.87 -43.28 99.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.069 -0.514 . . . . 64.25 110.873 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.93 -48.1 83.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 73.42 110.898 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -61.62 -47.5 85.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 72.13 110.919 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 134.19 -76.05 0.4 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.709 -0.758 . . . . 71.21 112.535 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 120.841 0.353 . . . . 70.24 110.934 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 56.3 t . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.813 0.34 . . . . 74.41 111.108 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -56.41 -39.82 73.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 71.41 110.847 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -54.98 -50.13 69.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 51.45 111.055 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.8 m -65.04 -39.98 94.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 62.11 110.891 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.575 HD23 ' HD2' ' A' ' 6' ' ' PRO . 0.2 OUTLIER -76.41 160.91 76.51 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.645 0.736 . . . . 71.25 110.947 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.575 ' HD2' HD23 ' A' ' 5' ' ' LEU . 53.7 Cg_endo -69.8 -8.15 22.88 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.706 2.271 . . . . 53.23 112.319 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -51.85 171.26 0.35 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.708 -0.758 . . . . 64.24 112.438 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 28.0 pt -65.45 143.38 15.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.784 0.326 . . . . 74.11 111.157 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -83.78 4.52 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 65.02 111.17 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -63.33 -40.0 96.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 74.2 110.898 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 44.2 p -64.75 -50.19 67.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.091 -0.504 . . . . 54.11 111.13 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -65.13 -40.11 94.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 63.43 110.9 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 21.0 t -58.82 -48.86 79.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.471 . . . . 74.23 110.894 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -56.45 -43.62 79.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 70.11 110.911 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 42.9 tptt -64.29 -49.3 72.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 72.23 110.894 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 54.68 36.95 27.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 70.14 110.863 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -90.48 -138.87 7.62 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.743 -0.741 . . . . 52.43 112.458 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.479 ' H ' HD23 ' A' ' 18' ' ' LEU . 1.4 pt? . . . . . 0 C--N 1.329 -0.325 0 CA-C-O 120.81 0.338 . . . . 73.4 110.896 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 23.2 t . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.825 0.345 . . . . 71.02 111.105 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -60.16 -39.87 87.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 71.24 110.87 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.76 ' HB2' ' HD2' ' A' ' 12' ' ' ARG . . . -54.86 -50.06 69.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 64.33 111.123 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.6 m -65.2 -39.96 93.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 74.22 110.842 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.8 mp -73.44 161.11 80.56 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.579 0.704 . . . . 74.23 110.943 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -8.25 23.12 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.717 2.278 . . . . 65.32 112.32 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -52.13 172.08 0.34 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.726 -0.749 . . . . 72.23 112.497 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 23.1 pt -63.52 138.64 22.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.771 0.32 . . . . 72.44 111.146 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -84.32 4.74 2.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.224 -0.444 . . . . 75.44 111.1 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -54.77 -47.65 73.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 75.01 110.894 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.0 t -55.01 -39.96 69.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 70.25 111.12 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.76 ' HD2' ' HB2' ' A' ' 3' ' ' ALA . 2.5 mmp_? -64.53 -48.41 75.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 73.55 110.84 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 23.0 t -64.55 -42.48 95.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 72.34 110.875 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 69.9 tp60 -58.32 -48.94 78.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 75.1 110.863 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.3 ttpp -55.13 -49.7 71.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 72.45 110.871 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -55.33 152.79 7.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.253 -0.43 . . . . 74.33 110.897 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 104.16 -64.26 0.35 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.765 -0.731 . . . . 62.13 112.461 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.7 tt . . . . . 0 C--N 1.328 -0.345 0 CA-C-O 120.829 0.347 . . . . 73.13 110.98 -179.958 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 25.4 t . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.858 0.361 . . . . 75.5 111.169 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -59.47 -39.94 85.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 72.53 110.877 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.413 ' HB2' ' HD2' ' A' ' 12' ' ' ARG . . . -54.97 -50.07 69.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 54.43 111.061 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.2 m -65.0 -39.99 94.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 63.41 110.848 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 20.3 mt -76.97 159.22 79.03 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.595 0.712 . . . . 72.32 110.92 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -9.96 27.4 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.702 2.268 . . . . 72.42 112.312 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -52.12 171.74 0.36 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.797 -0.716 . . . . 63.23 112.463 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.52 HD12 ' HB2' ' A' ' 10' ' ' PHE . 30.3 pt -64.76 147.46 12.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.841 0.353 . . . . 72.13 111.161 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -83.29 3.86 2.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 72.33 111.143 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.52 ' HB2' HD12 ' A' ' 8' ' ' ILE . 0.4 OUTLIER -54.92 -50.02 69.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 72.53 110.879 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -59.98 -41.02 91.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 63.4 111.113 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.413 ' HD2' ' HB2' ' A' ' 3' ' ' ALA . 6.0 mmp_? -64.94 -46.21 82.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.454 . . . . 72.24 110.885 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.2 t -63.76 -44.49 93.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 62.23 110.819 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -55.3 -42.85 74.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 53.21 110.896 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.3 tmmm? -58.16 -40.58 81.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 75.43 110.918 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -81.36 124.89 29.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.215 -0.448 . . . . 64.31 110.86 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 161.87 -81.19 0.14 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.692 -0.766 . . . . 55.41 112.454 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-O 120.788 0.328 . . . . 75.4 110.883 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 41.7 t . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.868 0.366 . . . . 74.23 111.176 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -58.26 -40.01 80.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 73.44 110.874 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.676 ' HB2' ' HD2' ' A' ' 12' ' ' ARG . . . -54.88 -50.11 69.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 64.53 111.109 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 25.4 t -65.02 -40.0 94.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 44.3 110.853 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 20.2 mt -77.16 159.27 78.44 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.613 0.721 . . . . 74.21 110.938 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -8.53 23.84 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.653 2.235 . . . . 42.04 112.361 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -52.13 171.98 0.35 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.722 -0.751 . . . . 73.4 112.521 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.485 HD12 ' HB2' ' A' ' 10' ' ' PHE . 27.8 pt -64.91 144.33 14.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.861 0.363 . . . . 75.43 111.08 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -83.36 3.95 2.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.489 . . . . 62.01 111.119 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.485 ' HB2' HD12 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -54.96 -41.76 71.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 65.12 110.895 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.2 p -54.98 -40.16 69.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 64.04 111.141 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.676 ' HD2' ' HB2' ' A' ' 3' ' ' ALA . 27.2 mtp85 -64.05 -49.62 71.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.424 . . . . 75.33 110.878 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 13.8 t -62.94 -40.4 97.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 72.13 110.863 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -60.58 -40.23 90.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 72.32 110.914 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -59.12 -40.05 84.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 73.12 110.896 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 60.6 34.99 20.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.43 . . . . 75.15 110.908 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 74.14 -156.62 50.41 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.775 -0.726 . . . . 54.1 112.497 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.6 tt . . . . . 0 C--N 1.328 -0.341 0 CA-C-O 120.8 0.334 . . . . 64.21 110.95 -179.944 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 22.0 t . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.815 0.341 . . . . 72.11 111.079 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.41 -39.99 77.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 71.54 110.896 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -54.95 -50.05 69.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 74.42 111.07 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 17.8 m -64.97 -40.05 94.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 75.24 110.863 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.2 mp -70.78 160.7 81.14 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.629 0.728 . . . . 62.14 110.904 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -12.64 33.32 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.662 2.241 . . . . 53.14 112.373 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -52.29 172.23 0.35 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.75 -0.738 . . . . 60.22 112.465 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.624 HD12 ' HB2' ' A' ' 10' ' ' PHE . 16.4 pt -63.81 -171.5 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.753 0.311 . . . . 74.31 111.148 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.514 ' H ' HD13 ' A' ' 9' ' ' ILE . 0.1 OUTLIER -126.91 6.09 3.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 70.13 111.103 179.849 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.624 ' HB2' HD12 ' A' ' 8' ' ' ILE . 0.5 OUTLIER -54.56 -49.94 69.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 72.44 110.894 179.913 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.0 t -57.17 -40.02 76.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 75.02 111.129 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.5 ttp180 -57.82 -48.07 80.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 72.13 110.864 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 41.6 t -55.76 -43.24 76.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 74.13 110.851 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 48.1 tp60 -63.9 -49.63 71.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 75.1 110.947 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 39.2 mmtt -55.64 -49.1 73.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 72.45 110.913 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -99.31 84.82 3.07 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.168 -0.469 . . . . 74.14 110.881 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -149.43 -112.99 0.64 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.75 -0.738 . . . . 63.35 112.494 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 13.6 tp . . . . . 0 C--N 1.328 -0.345 0 CA-C-O 120.815 0.341 . . . . 72.43 110.912 -179.908 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 54.8 t . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.883 0.373 . . . . 73.41 111.153 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -61.63 -41.04 96.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 72.41 110.868 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.475 ' HB2' ' NH1' ' A' ' 12' ' ' ARG . . . -58.1 -50.01 74.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 54.33 111.123 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 27.0 t -64.96 -40.38 94.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 74.32 110.876 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 20.2 mt -70.78 159.21 86.03 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.649 0.738 . . . . 74.22 110.895 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -10.51 28.77 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.697 2.265 . . . . 61.35 112.347 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -53.77 175.14 0.38 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.709 -0.758 . . . . 74.54 112.493 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 17.1 pt -59.65 -173.32 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.851 0.358 . . . . 73.15 111.09 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.468 ' H ' HD13 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -132.09 5.13 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 74.12 111.139 179.902 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -65.26 -41.27 94.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 73.15 110.865 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 62.4 p -65.05 -50.34 66.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 74.42 111.151 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.475 ' NH1' ' HB2' ' A' ' 3' ' ' ALA . 0.0 OUTLIER -65.23 -39.88 93.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 74.52 110.907 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 33.8 t -63.18 -40.04 96.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 54.24 110.864 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -56.47 -45.7 80.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 72.53 110.922 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.8 mtpp -64.31 -48.11 76.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 74.33 110.892 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 54.19 37.71 27.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 75.31 110.878 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -94.68 -118.11 3.05 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.755 -0.736 . . . . 65.2 112.471 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.2 pt? . . . . . 0 C--N 1.328 -0.34 0 CA-C-O 120.863 0.363 . . . . 73.35 110.891 -179.881 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 40.3 t . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.877 0.37 . . . . 44.2 111.104 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.51 -39.85 94.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 73.15 110.886 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -54.83 -50.11 69.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 64.13 111.075 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 70.8 m -65.09 -39.98 93.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 75.34 110.867 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 20.3 mt -71.96 159.39 85.59 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.65 0.738 . . . . 73.44 110.897 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -8.32 23.32 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.697 2.265 . . . . 75.01 112.349 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -53.21 174.18 0.34 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.765 -0.731 . . . . 74.32 112.492 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.7 pt -67.7 -171.91 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.819 0.343 . . . . 64.31 111.163 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.499 ' H ' HD13 ' A' ' 9' ' ' ILE . 0.1 OUTLIER -124.71 6.1 4.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 53.04 111.127 179.888 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -54.41 -41.19 69.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 74.41 110.827 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.0 t -55.43 -39.95 70.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 74.14 111.168 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 36.5 mtp180 -65.0 -49.98 68.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 63.34 110.82 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.1 t -55.68 -40.17 71.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 71.42 110.88 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.7 tp60 -62.3 -46.16 90.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.105 -0.498 . . . . 61.35 110.88 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.36 -40.14 93.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 53.14 110.902 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -94.25 80.05 3.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 74.23 110.87 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -151.01 -128.23 1.48 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.756 -0.735 . . . . 74.23 112.503 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 56.1 tp . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 120.816 0.341 . . . . 63.41 110.896 -179.95 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 38.4 t . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.871 0.367 . . . . 74.51 111.162 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -57.16 -47.78 80.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 73.44 110.882 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.63 -49.95 74.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 61.12 111.106 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.0 m -63.9 -39.83 95.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 60.12 110.841 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 20.3 mt -51.64 159.17 1.33 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.63 0.729 . . . . 72.55 110.925 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -8.08 22.69 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.721 2.281 . . . . 70.32 112.311 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -64.23 -108.62 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.73 -0.748 . . . . 54.13 112.521 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -144.49 -176.71 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.814 0.34 . . . . 73.35 111.132 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.3 pp -121.19 21.88 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 73.41 111.172 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -54.93 -47.05 74.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 73.11 110.882 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.48 HG23 ' HD2' ' A' ' 12' ' ' ARG . 7.5 t -55.01 -39.43 69.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 75.32 111.105 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.48 ' HD2' HG23 ' A' ' 11' ' ' THR . 1.4 mpt_? -64.96 -44.61 88.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 70.31 110.875 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 41.0 m -62.02 -43.33 99.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 64.53 110.884 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.54 -48.83 77.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 70.4 110.914 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? -56.02 -49.21 74.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 72.53 110.926 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -52.05 146.48 8.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 64.43 110.902 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -179.75 172.24 43.91 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.765 -0.731 . . . . 43.13 112.521 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 24.9 mt . . . . . 0 C--N 1.329 -0.323 0 CA-C-O 120.822 0.344 . . . . 74.42 110.945 -179.979 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 59.2 t . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.878 0.37 . . . . 54.240000000000002 111.119 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -57.04 -42.23 80.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 73.340000000000003 110.893 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.445 ' HB2' ' HG3' ' A' ' 12' ' ' ARG . . . -55.49 -45.94 76.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 75.200000000000003 111.122 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.7 m -64.9 -42.23 94.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 60.509999999999998 110.87 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.524 HD23 ' HD2' ' A' ' 6' ' ' PRO . 0.2 OUTLIER -73.97 160.66 81.27 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.619 0.723 . . . . 62.119999999999997 110.922 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.524 ' HD2' HD23 ' A' ' 5' ' ' LEU . 53.9 Cg_endo -69.79 -16.5 37.45 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.704 2.269 . . . . 73.340000000000003 112.298 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -52.18 171.32 0.4 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.742 -0.742 . . . . 51.049999999999997 112.478 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 26.3 pt -57.16 146.79 6.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.773 0.32 . . . . 74.519999999999996 111.15 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.526 ' O ' HD12 ' A' ' 9' ' ' ILE . 2.3 pp -94.96 23.06 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 74.420000000000002 111.171 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -59.27 -48.78 80.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 73.319999999999993 110.853 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.7 p -55.39 -42.18 73.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 62.219999999999999 111.138 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.445 ' HG3' ' HB2' ' A' ' 3' ' ' ALA . 4.1 ttt180 -56.95 -44.57 82.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 62.210000000000001 110.842 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.3 t -58.69 -40.58 84.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 75.219999999999999 110.895 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 42.7 tt0 -65.02 -39.95 94.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.107 -0.497 . . . . 73.25 110.929 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 48.2 tttp . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 62.140000000000001 110.936 179.916 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 37.2 t . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.876 0.369 . . . . 63.25 111.115 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -63.22 -40.11 96.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 74.239999999999995 110.91 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.687 ' HB2' ' HG3' ' A' ' 12' ' ' ARG . . . -55.17 -43.27 74.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 64.120000000000005 111.105 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.6 m -61.21 -44.27 97.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 74.129999999999995 110.848 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 20.3 mt -52.81 159.24 1.86 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.575 0.702 . . . . 53.25 110.941 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -16.75 37.62 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.704 2.27 . . . . 63.240000000000002 112.331 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -65.72 -153.12 0.15 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.728 -0.748 . . . . 50.109999999999999 112.483 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.582 HD12 ' HB2' ' A' ' 10' ' ' PHE . 31.2 pt -91.73 -176.2 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.773 0.32 . . . . 62.32 111.168 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.649 HG22 ' HA ' ' A' ' 3' ' ' ALA . 2.4 pp -121.68 23.46 4.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 75.310000000000002 111.148 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.582 ' HB2' HD12 ' A' ' 8' ' ' ILE . 28.5 t80 -59.43 -48.93 79.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 74.430000000000007 110.895 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 38.8 p -55.74 -40.31 72.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 50.219999999999999 111.138 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.687 ' HG3' ' HB2' ' A' ' 3' ' ' ALA . 6.3 mmp_? -62.13 -43.77 98.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 73.299999999999997 110.885 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.6 t -63.5 -41.77 98.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 73.430000000000007 110.854 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 68.0 tp60 -59.14 -40.2 84.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 72.549999999999997 110.923 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.8 mttm . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.435 . . . . 74.340000000000003 110.912 179.94 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' VAL . . . . . 0.577 HG12 HD13 ' A' ' 5' ' ' LEU . 39.6 t . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.841 0.353 . . . . 65.200000000000003 111.144 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -59.11 -40.26 84.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 73.319999999999993 110.91 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.521 ' HB2' ' HD2' ' A' ' 12' ' ' ARG . . . -55.02 -49.96 70.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 74.209999999999994 111.107 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 6.1 m -64.97 -40.52 95.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 65.319999999999993 110.843 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.577 HD13 HG12 ' A' ' 1' ' ' VAL . 4.1 mp -71.94 160.68 82.0 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.638 0.733 . . . . 74.299999999999997 110.941 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 -16.58 37.33 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.672 2.248 . . . . 74.209999999999994 112.329 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -52.31 172.09 0.36 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.753 -0.737 . . . . 54.399999999999999 112.435 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.623 HD12 ' HB2' ' A' ' 10' ' ' PHE . 31.5 pt -64.49 -177.37 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.785 0.326 . . . . 73.200000000000003 111.144 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.3 pp -121.77 21.22 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 62.130000000000003 111.124 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.623 ' HB2' HD12 ' A' ' 8' ' ' ILE . 26.6 t80 -55.17 -44.4 75.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 70.239999999999995 110.903 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.9 t -56.22 -40.14 73.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 72.049999999999997 111.131 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.521 ' HD2' ' HB2' ' A' ' 3' ' ' ALA . 45.2 mtp180 -64.93 -41.34 95.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 70.340000000000003 110.901 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.1 t -55.1 -49.83 70.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 63.409999999999997 110.829 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -61.45 -40.76 95.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 72.340000000000003 110.903 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.8 tmtt? . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 51.509999999999998 110.851 179.967 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 40.4 t . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.838 0.352 . . . . 60.130000000000003 111.097 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -59.23 -42.35 90.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 74.510000000000005 110.878 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.591 ' HA ' HG22 ' A' ' 9' ' ' ILE . . . -59.76 -49.96 75.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.473 . . . . 64.140000000000001 111.109 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 44.8 t -65.05 -39.92 94.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 72.510000000000005 110.866 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 20.2 mt -58.54 159.22 12.81 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.663 0.744 . . . . 74.109999999999999 110.879 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -8.44 23.61 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.701 2.267 . . . . 73.409999999999997 112.366 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.443 ' O ' HG23 ' A' ' 8' ' ' ILE . . . -64.97 -109.78 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.755 -0.736 . . . . 54.340000000000003 112.496 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.443 HG23 ' O ' ' A' ' 7' ' ' GLY . 1.2 pp -157.09 176.65 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.821 0.343 . . . . 43.240000000000002 111.102 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.591 HG22 ' HA ' ' A' ' 3' ' ' ALA . 2.5 pp -108.12 18.59 6.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 71.549999999999997 111.127 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -57.89 -48.79 78.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 71.200000000000003 110.905 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 65.2 p -60.77 -42.53 97.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 70.209999999999994 111.132 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 22.2 mtp85 -56.7 -40.72 76.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 72.219999999999999 110.869 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 43.1 t -63.25 -41.5 99.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 71.420000000000002 110.854 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 33.9 mm-40 -61.9 -41.46 97.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 64.120000000000005 110.935 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.6 tmtm? . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 73.299999999999997 110.921 179.917 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 86.2 t . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.836 0.351 . . . . 64.409999999999997 111.077 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -54.91 -39.81 69.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.215 -0.448 . . . . 75.109999999999999 110.868 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -54.81 -39.51 68.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 71.010000000000005 111.097 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 12.3 t -54.56 -42.47 71.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 61.0 110.855 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.486 HD12 ' H ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -95.2 156.82 37.33 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.579 0.704 . . . . 74.329999999999998 110.942 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 74.21 1.29 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.704 2.269 . . . . 75.030000000000001 112.348 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.85 -108.35 2.23 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.731 -0.747 . . . . 74.340000000000003 112.454 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 21.2 pt -148.37 158.24 7.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.778 0.323 . . . . 65.140000000000001 111.121 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.534 ' O ' HD12 ' A' ' 9' ' ' ILE . 2.3 pp -94.94 22.37 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 62.450000000000003 111.137 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -65.04 -50.14 67.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 73.439999999999998 110.855 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.1 t -62.47 -39.64 94.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.11 -0.495 . . . . 72.239999999999995 111.131 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -57.64 -47.68 81.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 72.099999999999994 110.877 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 30.1 t -61.92 -43.38 98.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 53.340000000000003 110.849 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -61.31 -39.97 92.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 72.340000000000003 110.922 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 74.010000000000005 110.901 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' VAL . . . . . 0.407 HG12 ' CD2' ' A' ' 5' ' ' LEU . 27.7 t . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.819 0.343 . . . . 74.209999999999994 111.11 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -54.99 -39.96 69.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 72.409999999999997 110.916 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.522 ' HB2' ' HD2' ' A' ' 12' ' ' ARG . . . -62.05 -40.29 95.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 52.539999999999999 111.09 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 10.8 t -62.37 -50.02 73.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 50.109999999999999 110.883 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.407 ' CD2' HG12 ' A' ' 1' ' ' VAL . 0.6 OUTLIER -79.02 155.61 77.38 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.605 0.717 . . . . 64.540000000000006 110.925 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 90.04 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.665 2.243 . . . . 63.299999999999997 112.371 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.8 -142.4 3.5 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.723 -0.751 . . . . 53.340000000000003 112.451 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.615 HD12 ' HB2' ' A' ' 10' ' ' PHE . 28.7 pt -104.67 -178.62 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.818 0.342 . . . . 44.039999999999999 111.143 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.3 pp -121.79 21.02 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 63.130000000000003 111.098 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.615 ' HB2' HD12 ' A' ' 8' ' ' ILE . 15.2 t80 -55.69 -50.05 71.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 65.420000000000002 110.871 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.1 t -57.92 -39.95 79.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 63.130000000000003 111.135 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.522 ' HD2' ' HB2' ' A' ' 3' ' ' ALA . 11.6 mtp180 -58.25 -41.91 85.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 62.009999999999998 110.855 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.7 t -61.05 -49.36 77.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 41.030000000000001 110.823 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 36.6 tp60 -60.24 -43.35 96.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 64.010000000000005 110.899 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.7 tptp . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 62.32 110.883 179.971 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 46.8 t . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.852 0.358 . . . . 70.530000000000001 111.106 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -54.83 -50.02 69.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 61.509999999999998 110.888 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -63.46 -39.93 95.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 30.449999999999999 111.074 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 13.3 t -60.16 -46.55 89.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 64.230000000000004 110.865 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -77.09 158.32 80.09 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.599 0.714 . . . . 74.230000000000004 110.924 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -7.25 20.58 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.646 2.231 . . . . 71.420000000000002 112.372 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -50.83 -89.22 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.748 -0.739 . . . . 72.319999999999993 112.49 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 16.1 pt -152.23 -178.08 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.834 0.35 . . . . 72.310000000000002 111.106 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.401 ' C ' HD12 ' A' ' 9' ' ' ILE . 1.9 pp -117.86 38.15 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 63.539999999999999 111.103 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -54.85 -47.4 74.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 72.439999999999998 110.873 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.2 t -58.84 -39.78 82.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 52.340000000000003 111.11 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.9 mmm180 -60.14 -50.05 75.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 64.540000000000006 110.85 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 11.0 t -61.89 -40.85 96.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 63.229999999999997 110.895 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 20.1 tm0? -59.08 -40.38 85.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.1 -0.5 . . . . 74.439999999999998 110.911 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.2 tmtm? . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 60.399999999999999 110.892 179.959 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 40.1 t . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.815 0.34 . . . . 65.310000000000002 111.143 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -59.44 -43.06 93.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 53.509999999999998 110.893 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.18 -43.69 95.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 64.549999999999997 111.11 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 34.3 m -64.26 -43.08 95.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 53.520000000000003 110.857 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.3 mp -73.97 160.62 81.36 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.641 0.734 . . . . 75.540000000000006 110.885 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -16.2 37.62 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.745 2.297 . . . . 72.040000000000006 112.331 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -58.19 -174.86 0.47 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.771 -0.728 . . . . 70.510000000000005 112.488 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -69.54 177.47 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.832 0.349 . . . . 63.409999999999997 111.102 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.52 ' O ' HD12 ' A' ' 9' ' ' ILE . 2.4 pp -142.15 23.74 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 73.239999999999995 111.139 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -55.37 -48.04 74.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 74.349999999999994 110.856 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.9 t -55.88 -40.07 72.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 64.310000000000002 111.152 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -59.36 -49.89 76.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 73.310000000000002 110.9 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.1 t -60.77 -40.04 91.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 74.230000000000004 110.827 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 39.7 tt0 -60.93 -42.58 98.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 72.299999999999997 110.892 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 20.0 tttp . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 70.430000000000007 110.883 179.942 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 23.8 t . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.824 0.345 . . . . 64.430000000000007 111.123 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -59.33 -42.05 90.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 61.240000000000002 110.85 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.454 ' HB2' ' HD2' ' A' ' 12' ' ' ARG . . . -64.98 -47.62 76.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 51.219999999999999 111.089 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.4 t -62.64 -49.68 74.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 65.430000000000007 110.873 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.572 HD23 ' HD2' ' A' ' 6' ' ' PRO . 0.2 OUTLIER -71.53 160.63 82.01 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.601 0.715 . . . . 73.239999999999995 110.922 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.572 ' HD2' HD23 ' A' ' 5' ' ' LEU . 53.6 Cg_endo -69.76 -8.58 23.97 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.695 2.263 . . . . 64.430000000000007 112.332 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -54.33 176.59 0.37 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.782 -0.723 . . . . 74.409999999999997 112.467 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -63.44 170.92 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.877 0.37 . . . . 54.020000000000003 111.099 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.52 ' O ' HD12 ' A' ' 9' ' ' ILE . 2.5 pp -131.13 22.75 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 74.549999999999997 111.096 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -56.26 -42.09 76.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 74.040000000000006 110.858 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.0 t -57.54 -39.95 77.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 73.519999999999996 111.132 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.454 ' HD2' ' HB2' ' A' ' 3' ' ' ALA . 67.0 mtp180 -64.11 -50.0 69.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 73.140000000000001 110.848 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 30.0 t -58.21 -47.57 83.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 71.109999999999999 110.87 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -64.98 -48.07 75.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 65.450000000000003 110.921 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.2 mmtp . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 73.439999999999998 110.913 179.947 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 58.5 t . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.874 0.368 . . . . 71.109999999999999 111.127 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -58.64 -40.07 82.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 74.430000000000007 110.884 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.617 ' HB2' ' NE ' ' A' ' 12' ' ' ARG . . . -54.98 -49.93 70.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 52.32 111.106 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 11.0 t -64.98 -39.98 94.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 70.109999999999999 110.903 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 20.3 mt -58.47 159.24 12.55 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.56 0.695 . . . . 73.140000000000001 110.971 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -9.96 27.4 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.706 2.27 . . . . 73.010000000000005 112.337 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.76 -139.44 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.752 -0.737 . . . . 74.120000000000005 112.472 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.484 HD13 ' H ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -117.78 -179.52 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.846 0.355 . . . . 64.140000000000001 111.157 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.616 HG22 ' HA ' ' A' ' 3' ' ' ALA . 2.4 pp -118.4 22.87 5.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 70.129999999999995 111.102 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -59.75 -45.72 91.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 63.0 110.871 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.0 t -56.75 -40.03 75.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 74.409999999999997 111.149 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.617 ' NE ' ' HB2' ' A' ' 3' ' ' ALA . 28.0 mtm180 -59.63 -50.0 75.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 70.450000000000003 110.857 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.1 t -61.18 -45.81 93.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 72.420000000000002 110.849 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -57.05 -44.91 83.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 64.430000000000007 110.886 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 36.5 tptt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 74.230000000000004 110.901 179.949 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 44.3 t . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.852 0.358 . . . . 74.109999999999999 111.147 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -62.91 -43.28 99.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 71.150000000000006 110.877 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -62.49 -44.02 97.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 74.319999999999993 111.069 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.21 -47.22 80.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 63.229999999999997 110.826 -179.727 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.423 HD23 ' HD2' ' A' ' 6' ' ' PRO . 0.0 OUTLIER -73.42 151.33 89.66 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.557 0.694 . . . . 75.030000000000001 110.906 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.423 ' HD2' HD23 ' A' ' 5' ' ' LEU . 53.8 Cg_endo -69.78 66.48 1.78 Allowed 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.73 2.287 . . . . 73.430000000000007 112.336 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.85 -144.29 5.73 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.761 -0.733 . . . . 62.0 112.517 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 28.7 pt -103.22 -176.9 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.81 0.338 . . . . 73.400000000000006 111.113 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.3 pp -121.35 21.47 5.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 73.439999999999998 111.09 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -55.01 -50.0 70.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 75.549999999999997 110.869 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.9 t -56.78 -39.92 74.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.138 -0.483 . . . . 65.319999999999993 111.154 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 28.5 mmm180 -57.3 -44.37 84.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 64.540000000000006 110.839 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 15.4 t -56.74 -40.73 76.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 75.099999999999994 110.817 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 17.1 tm0? -58.73 -45.22 90.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.485 . . . . 70.439999999999998 110.944 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 53.119999999999997 110.93 179.958 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 34.9 t . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.902 0.382 . . . . 65.349999999999994 111.173 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -55.98 -41.66 75.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 75.120000000000005 110.856 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.96 -49.3 76.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 73.239999999999995 111.087 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 53.5 m -63.74 -49.14 74.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 75.120000000000005 110.862 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.46 150.41 93.88 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.605 0.717 . . . . 53.119999999999997 110.921 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 67.93 1.69 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.663 2.242 . . . . 62.229999999999997 112.326 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.71 -167.14 12.12 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.752 -0.737 . . . . 74.519999999999996 112.466 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.596 HD12 ' HB2' ' A' ' 10' ' ' PHE . 23.1 pt -78.06 176.9 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.811 0.339 . . . . 64.219999999999999 111.127 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.3 pp -121.49 21.44 5.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 70.230000000000004 111.136 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.596 ' HB2' HD12 ' A' ' 8' ' ' ILE . 2.2 t80 -56.3 -50.06 72.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 74.129999999999995 110.899 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.494 HG23 ' HD2' ' A' ' 12' ' ' ARG . 6.3 t -60.68 -39.68 89.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 72.049999999999997 111.165 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.494 ' HD2' HG23 ' A' ' 11' ' ' THR . 0.0 OUTLIER -55.62 -43.54 76.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.457 . . . . 74.120000000000005 110.882 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.4 t -64.53 -43.76 93.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 72.5 110.893 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 19.6 tp60 -62.87 -43.28 99.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.069 -0.514 . . . . 64.25 110.873 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 73.420000000000002 110.898 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 56.3 t . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.813 0.34 . . . . 74.409999999999997 111.108 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -56.41 -39.82 73.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 71.409999999999997 110.847 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -54.98 -50.13 69.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 51.450000000000003 111.055 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.8 m -65.04 -39.98 94.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 62.109999999999999 110.891 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.575 HD23 ' HD2' ' A' ' 6' ' ' PRO . 0.2 OUTLIER -76.41 160.91 76.51 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.645 0.736 . . . . 71.25 110.947 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.575 ' HD2' HD23 ' A' ' 5' ' ' LEU . 53.7 Cg_endo -69.8 -8.15 22.88 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.706 2.271 . . . . 53.229999999999997 112.319 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -51.85 171.26 0.35 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.708 -0.758 . . . . 64.239999999999995 112.438 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 28.0 pt -65.45 143.38 15.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.784 0.326 . . . . 74.109999999999999 111.157 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -83.78 4.52 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 65.019999999999996 111.17 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -63.33 -40.0 96.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 74.200000000000003 110.898 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 44.2 p -64.75 -50.19 67.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.091 -0.504 . . . . 54.109999999999999 111.13 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -65.13 -40.11 94.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 63.43 110.9 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 21.0 t -58.82 -48.86 79.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.471 . . . . 74.230000000000004 110.894 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -56.45 -43.62 79.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 70.109999999999999 110.911 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 42.9 tptt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 72.230000000000004 110.894 179.977 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 23.2 t . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.825 0.345 . . . . 71.019999999999996 111.105 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -60.16 -39.87 87.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 71.239999999999995 110.87 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.76 ' HB2' ' HD2' ' A' ' 12' ' ' ARG . . . -54.86 -50.06 69.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 64.329999999999998 111.123 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.6 m -65.2 -39.96 93.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 74.219999999999999 110.842 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.8 mp -73.44 161.11 80.56 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.579 0.704 . . . . 74.230000000000004 110.943 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -8.25 23.12 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.717 2.278 . . . . 65.319999999999993 112.32 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -52.13 172.08 0.34 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.726 -0.749 . . . . 72.230000000000004 112.497 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 23.1 pt -63.52 138.64 22.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.771 0.32 . . . . 72.439999999999998 111.146 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -84.32 4.74 2.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.224 -0.444 . . . . 75.439999999999998 111.1 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -54.77 -47.65 73.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 75.010000000000005 110.894 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.0 t -55.01 -39.96 69.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 70.25 111.12 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.76 ' HD2' ' HB2' ' A' ' 3' ' ' ALA . 2.5 mmp_? -64.53 -48.41 75.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 73.549999999999997 110.84 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 23.0 t -64.55 -42.48 95.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 72.340000000000003 110.875 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 69.9 tp60 -58.32 -48.94 78.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 75.099999999999994 110.863 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.3 ttpp . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 72.450000000000003 110.871 179.983 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 25.4 t . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.858 0.361 . . . . 75.5 111.169 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -59.47 -39.94 85.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 72.530000000000001 110.877 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.413 ' HB2' ' HD2' ' A' ' 12' ' ' ARG . . . -54.97 -50.07 69.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 54.43 111.061 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.2 m -65.0 -39.99 94.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 63.409999999999997 110.848 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 20.3 mt -76.97 159.22 79.03 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.595 0.712 . . . . 72.319999999999993 110.92 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -9.96 27.4 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.702 2.268 . . . . 72.420000000000002 112.312 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -52.12 171.74 0.36 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.797 -0.716 . . . . 63.229999999999997 112.463 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.52 HD12 ' HB2' ' A' ' 10' ' ' PHE . 30.3 pt -64.76 147.46 12.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.841 0.353 . . . . 72.129999999999995 111.161 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -83.29 3.86 2.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 72.329999999999998 111.143 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.52 ' HB2' HD12 ' A' ' 8' ' ' ILE . 0.4 OUTLIER -54.92 -50.02 69.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 72.530000000000001 110.879 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -59.98 -41.02 91.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 63.399999999999999 111.113 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.413 ' HD2' ' HB2' ' A' ' 3' ' ' ALA . 6.0 mmp_? -64.94 -46.21 82.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.454 . . . . 72.239999999999995 110.885 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.2 t -63.76 -44.49 93.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 62.229999999999997 110.819 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -55.3 -42.85 74.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 53.210000000000001 110.896 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.3 tmmm? . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 75.430000000000007 110.918 179.987 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 41.7 t . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.868 0.366 . . . . 74.230000000000004 111.176 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -58.26 -40.01 80.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 73.439999999999998 110.874 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.676 ' HB2' ' HD2' ' A' ' 12' ' ' ARG . . . -54.88 -50.11 69.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 64.530000000000001 111.109 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 25.4 t -65.02 -40.0 94.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 44.299999999999997 110.853 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 20.2 mt -77.16 159.27 78.44 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.613 0.721 . . . . 74.209999999999994 110.938 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -8.53 23.84 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.653 2.235 . . . . 42.039999999999999 112.361 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -52.13 171.98 0.35 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.722 -0.751 . . . . 73.400000000000006 112.521 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.485 HD12 ' HB2' ' A' ' 10' ' ' PHE . 27.8 pt -64.91 144.33 14.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.861 0.363 . . . . 75.430000000000007 111.08 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -83.36 3.95 2.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.489 . . . . 62.009999999999998 111.119 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.485 ' HB2' HD12 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -54.96 -41.76 71.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 65.120000000000005 110.895 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.2 p -54.98 -40.16 69.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 64.040000000000006 111.141 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.676 ' HD2' ' HB2' ' A' ' 3' ' ' ALA . 27.2 mtp85 -64.05 -49.62 71.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.424 . . . . 75.329999999999998 110.878 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 13.8 t -62.94 -40.4 97.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 72.129999999999995 110.863 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -60.58 -40.23 90.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 72.319999999999993 110.914 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 73.120000000000005 110.896 179.972 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 22.0 t . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.815 0.341 . . . . 72.109999999999999 111.079 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.41 -39.99 77.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 71.540000000000006 110.896 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -54.95 -50.05 69.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 74.420000000000002 111.07 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 17.8 m -64.97 -40.05 94.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 75.239999999999995 110.863 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.2 mp -70.78 160.7 81.14 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.629 0.728 . . . . 62.140000000000001 110.904 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -12.64 33.32 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.662 2.241 . . . . 53.140000000000001 112.373 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -52.29 172.23 0.35 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.75 -0.738 . . . . 60.219999999999999 112.465 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.624 HD12 ' HB2' ' A' ' 10' ' ' PHE . 16.4 pt -63.81 -171.5 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.753 0.311 . . . . 74.310000000000002 111.148 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.514 HD13 ' H ' ' A' ' 9' ' ' ILE . 0.1 OUTLIER -126.91 6.09 3.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 70.129999999999995 111.103 179.849 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.624 ' HB2' HD12 ' A' ' 8' ' ' ILE . 0.5 OUTLIER -54.56 -49.94 69.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 72.439999999999998 110.894 179.913 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.0 t -57.17 -40.02 76.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 75.019999999999996 111.129 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.5 ttp180 -57.82 -48.07 80.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 72.129999999999995 110.864 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 41.6 t -55.76 -43.24 76.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 74.129999999999995 110.851 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 48.1 tp60 -63.9 -49.63 71.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 75.099999999999994 110.947 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 39.2 mmtt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 72.450000000000003 110.913 179.974 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 54.8 t . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.883 0.373 . . . . 73.409999999999997 111.153 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -61.63 -41.04 96.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 72.409999999999997 110.868 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.475 ' HB2' ' NH1' ' A' ' 12' ' ' ARG . . . -58.1 -50.01 74.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 54.329999999999998 111.123 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 27.0 t -64.96 -40.38 94.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 74.319999999999993 110.876 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 20.2 mt -70.78 159.21 86.03 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.649 0.738 . . . . 74.219999999999999 110.895 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -10.51 28.77 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.697 2.265 . . . . 61.350000000000001 112.347 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -53.77 175.14 0.38 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.709 -0.758 . . . . 74.540000000000006 112.493 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 17.1 pt -59.65 -173.32 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.851 0.358 . . . . 73.150000000000006 111.09 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.468 HD13 ' H ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -132.09 5.13 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 74.120000000000005 111.139 179.902 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -65.26 -41.27 94.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 73.150000000000006 110.865 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 62.4 p -65.05 -50.34 66.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 74.420000000000002 111.151 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.475 ' NH1' ' HB2' ' A' ' 3' ' ' ALA . 0.0 OUTLIER -65.23 -39.88 93.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 74.519999999999996 110.907 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 33.8 t -63.18 -40.04 96.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 54.240000000000002 110.864 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -56.47 -45.7 80.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 72.530000000000001 110.922 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.8 mtpp . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 74.329999999999998 110.892 179.988 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 40.3 t . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.877 0.37 . . . . 44.200000000000003 111.104 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.51 -39.85 94.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 73.150000000000006 110.886 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -54.83 -50.11 69.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 64.129999999999995 111.075 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 70.8 m -65.09 -39.98 93.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 75.340000000000003 110.867 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 20.3 mt -71.96 159.39 85.59 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.65 0.738 . . . . 73.439999999999998 110.897 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -8.32 23.32 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.697 2.265 . . . . 75.010000000000005 112.349 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -53.21 174.18 0.34 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.765 -0.731 . . . . 74.319999999999993 112.492 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.7 pt -67.7 -171.91 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.819 0.343 . . . . 64.310000000000002 111.163 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.499 HD13 ' H ' ' A' ' 9' ' ' ILE . 0.1 OUTLIER -124.71 6.1 4.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 53.039999999999999 111.127 179.888 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -54.41 -41.19 69.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 74.409999999999997 110.827 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.0 t -55.43 -39.95 70.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 74.140000000000001 111.168 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 36.5 mtp180 -65.0 -49.98 68.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 63.340000000000003 110.82 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.1 t -55.68 -40.17 71.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 71.420000000000002 110.88 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.7 tp60 -62.3 -46.16 90.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.105 -0.498 . . . . 61.350000000000001 110.88 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 53.140000000000001 110.902 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 38.4 t . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.871 0.367 . . . . 74.510000000000005 111.162 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -57.16 -47.78 80.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 73.439999999999998 110.882 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.63 -49.95 74.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 61.119999999999997 111.106 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.0 m -63.9 -39.83 95.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 60.119999999999997 110.841 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 20.3 mt -51.64 159.17 1.33 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.63 0.729 . . . . 72.549999999999997 110.925 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -8.08 22.69 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.721 2.281 . . . . 70.319999999999993 112.311 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -64.23 -108.62 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.73 -0.748 . . . . 54.130000000000003 112.521 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -144.49 -176.71 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.814 0.34 . . . . 73.349999999999994 111.132 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.3 pp -121.19 21.88 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 73.409999999999997 111.172 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -54.93 -47.05 74.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 73.109999999999999 110.882 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.48 HG23 ' HD2' ' A' ' 12' ' ' ARG . 7.5 t -55.01 -39.43 69.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 75.319999999999993 111.105 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.48 ' HD2' HG23 ' A' ' 11' ' ' THR . 1.4 mpt_? -64.96 -44.61 88.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 70.310000000000002 110.875 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 41.0 m -62.02 -43.33 99.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 64.530000000000001 110.884 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.54 -48.83 77.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 70.400000000000006 110.914 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 72.530000000000001 110.926 179.961 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 59.2 t . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.878 0.37 . . . . 54.240000000000002 111.119 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -57.04 -42.23 80.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 73.340000000000003 110.893 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.445 ' HB2' ' HG3' ' A' ' 12' ' ' ARG . . . -55.49 -45.94 76.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 75.200000000000003 111.122 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.7 m -64.9 -42.23 94.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 60.509999999999998 110.87 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.524 HD23 ' HD2' ' A' ' 6' ' ' PRO . 0.2 OUTLIER -73.97 160.66 81.27 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.619 0.723 . . . . 62.119999999999997 110.922 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.524 ' HD2' HD23 ' A' ' 5' ' ' LEU . 53.9 Cg_endo -69.79 -16.5 37.45 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.704 2.269 . . . . 73.340000000000003 112.298 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -52.18 171.32 0.4 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.742 -0.742 . . . . 51.049999999999997 112.478 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 26.3 pt -57.16 146.79 6.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.773 0.32 . . . . 74.519999999999996 111.15 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.526 ' O ' HD12 ' A' ' 9' ' ' ILE . 2.3 pp -94.96 23.06 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 74.420000000000002 111.171 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -59.27 -48.78 80.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 73.319999999999993 110.853 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.7 p -55.39 -42.18 73.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 62.219999999999999 111.138 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.445 ' HG3' ' HB2' ' A' ' 3' ' ' ALA . 4.1 ttt180 -56.95 -44.57 82.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 62.210000000000001 110.842 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.3 t -58.69 -40.58 84.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 75.219999999999999 110.895 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 42.7 tt0 -65.02 -39.95 94.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.107 -0.497 . . . . 73.25 110.929 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 48.2 tttp -54.96 -39.96 69.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 62.140000000000001 110.936 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 24.5 tp10 -87.78 -25.94 23.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 74.439999999999998 110.908 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 144.48 -104.05 0.32 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.746 -0.74 . . . . 54.439999999999998 112.514 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.4 tt . . . . . 0 C--N 1.329 -0.304 0 CA-C-O 120.889 0.376 . . . . 74.5 110.912 -179.97 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 37.2 t . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.876 0.369 . . . . 63.25 111.115 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -63.22 -40.11 96.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 74.239999999999995 110.91 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.687 ' HB2' ' HG3' ' A' ' 12' ' ' ARG . . . -55.17 -43.27 74.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 64.120000000000005 111.105 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.6 m -61.21 -44.27 97.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 74.129999999999995 110.848 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 20.3 mt -52.81 159.24 1.86 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.575 0.702 . . . . 53.25 110.941 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -16.75 37.62 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.704 2.27 . . . . 63.240000000000002 112.331 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -65.72 -153.12 0.15 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.728 -0.748 . . . . 50.109999999999999 112.483 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.582 HD12 ' HB2' ' A' ' 10' ' ' PHE . 31.2 pt -91.73 -176.2 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.773 0.32 . . . . 62.32 111.168 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.649 HG22 ' HA ' ' A' ' 3' ' ' ALA . 2.4 pp -121.68 23.46 4.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 75.310000000000002 111.148 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.582 ' HB2' HD12 ' A' ' 8' ' ' ILE . 28.5 t80 -59.43 -48.93 79.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 74.430000000000007 110.895 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 38.8 p -55.74 -40.31 72.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 50.219999999999999 111.138 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.687 ' HG3' ' HB2' ' A' ' 3' ' ' ALA . 6.3 mmp_? -62.13 -43.77 98.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 73.299999999999997 110.885 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.6 t -63.5 -41.77 98.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 73.430000000000007 110.854 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 68.0 tp60 -59.14 -40.2 84.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 72.549999999999997 110.923 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.8 mttm -56.0 -48.92 75.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.435 . . . . 74.340000000000003 110.912 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -92.25 109.51 20.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 75.049999999999997 110.909 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 105.83 177.4 23.81 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.736 -0.745 . . . . 71.329999999999998 112.515 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.8 mp . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 120.848 0.356 . . . . 74.209999999999994 110.881 -179.896 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.577 HG12 HD13 ' A' ' 5' ' ' LEU . 39.6 t . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.841 0.353 . . . . 65.200000000000003 111.144 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -59.11 -40.26 84.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 73.319999999999993 110.91 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.521 ' HB2' ' HD2' ' A' ' 12' ' ' ARG . . . -55.02 -49.96 70.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 74.209999999999994 111.107 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 6.1 m -64.97 -40.52 95.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 65.319999999999993 110.843 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.577 HD13 HG12 ' A' ' 1' ' ' VAL . 4.1 mp -71.94 160.68 82.0 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.638 0.733 . . . . 74.299999999999997 110.941 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 -16.58 37.33 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.672 2.248 . . . . 74.209999999999994 112.329 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -52.31 172.09 0.36 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.753 -0.737 . . . . 54.399999999999999 112.435 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.623 HD12 ' HB2' ' A' ' 10' ' ' PHE . 31.5 pt -64.49 -177.37 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.785 0.326 . . . . 73.200000000000003 111.144 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.3 pp -121.77 21.22 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 62.130000000000003 111.124 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.623 ' HB2' HD12 ' A' ' 8' ' ' ILE . 26.6 t80 -55.17 -44.4 75.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 70.239999999999995 110.903 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.9 t -56.22 -40.14 73.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 72.049999999999997 111.131 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.521 ' HD2' ' HB2' ' A' ' 3' ' ' ALA . 45.2 mtp180 -64.93 -41.34 95.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 70.340000000000003 110.901 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.1 t -55.1 -49.83 70.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 63.409999999999997 110.829 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -61.45 -40.76 95.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 72.340000000000003 110.903 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.8 tmtt? -58.38 -50.03 75.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 51.509999999999998 110.851 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -131.94 -72.3 0.54 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 73.409999999999997 110.93 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.428 ' C ' HD22 ' A' ' 18' ' ' LEU . . . 107.72 152.44 17.39 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.732 -0.747 . . . . 71.129999999999995 112.461 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.428 HD22 ' C ' ' A' ' 17' ' ' GLY . 4.5 mm? . . . . . 0 C--N 1.329 -0.314 0 CA-C-O 120.86 0.362 . . . . 52.219999999999999 110.938 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 40.4 t . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.838 0.352 . . . . 60.130000000000003 111.097 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -59.23 -42.35 90.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 74.510000000000005 110.878 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.591 ' HA ' HG22 ' A' ' 9' ' ' ILE . . . -59.76 -49.96 75.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.473 . . . . 64.140000000000001 111.109 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 44.8 t -65.05 -39.92 94.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 72.510000000000005 110.866 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 20.2 mt -58.54 159.22 12.81 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.663 0.744 . . . . 74.109999999999999 110.879 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -8.44 23.61 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.701 2.267 . . . . 73.409999999999997 112.366 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.443 ' O ' HG23 ' A' ' 8' ' ' ILE . . . -64.97 -109.78 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.755 -0.736 . . . . 54.340000000000003 112.496 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.443 HG23 ' O ' ' A' ' 7' ' ' GLY . 1.2 pp -157.09 176.65 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.821 0.343 . . . . 43.240000000000002 111.102 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.591 HG22 ' HA ' ' A' ' 3' ' ' ALA . 2.5 pp -108.12 18.59 6.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 71.549999999999997 111.127 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -57.89 -48.79 78.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 71.200000000000003 110.905 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 65.2 p -60.77 -42.53 97.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 70.209999999999994 111.132 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 22.2 mtp85 -56.7 -40.72 76.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 72.219999999999999 110.869 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 43.1 t -63.25 -41.5 99.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 71.420000000000002 110.854 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 33.9 mm-40 -61.9 -41.46 97.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 64.120000000000005 110.935 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.6 tmtm? -58.2 -46.56 85.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 73.299999999999997 110.921 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -52.43 -55.66 20.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 73.340000000000003 110.912 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -70.23 -137.23 0.12 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.748 -0.739 . . . . 45.439999999999998 112.535 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 93.1 mt . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 120.817 0.341 . . . . 75.439999999999998 110.89 -179.925 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 86.2 t . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.836 0.351 . . . . 64.409999999999997 111.077 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -54.91 -39.81 69.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.215 -0.448 . . . . 75.109999999999999 110.868 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -54.81 -39.51 68.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 71.010000000000005 111.097 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 12.3 t -54.56 -42.47 71.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 61.0 110.855 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.486 HD12 ' H ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -95.2 156.82 37.33 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.579 0.704 . . . . 74.329999999999998 110.942 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 74.21 1.29 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.704 2.269 . . . . 75.030000000000001 112.348 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.85 -108.35 2.23 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.731 -0.747 . . . . 74.340000000000003 112.454 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 21.2 pt -148.37 158.24 7.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.778 0.323 . . . . 65.140000000000001 111.121 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.534 ' O ' HD12 ' A' ' 9' ' ' ILE . 2.3 pp -94.94 22.37 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 62.450000000000003 111.137 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -65.04 -50.14 67.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 73.439999999999998 110.855 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.1 t -62.47 -39.64 94.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.11 -0.495 . . . . 72.239999999999995 111.131 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -57.64 -47.68 81.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 72.099999999999994 110.877 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 30.1 t -61.92 -43.38 98.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 53.340000000000003 110.849 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -61.31 -39.97 92.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 72.340000000000003 110.922 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -55.0 -39.95 69.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 74.010000000000005 110.901 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -86.35 -27.66 24.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 74.230000000000004 110.866 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 96.37 -99.62 2.36 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.693 -0.765 . . . . 34.43 112.526 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.5 mp . . . . . 0 C--N 1.328 -0.329 0 CA-C-O 120.812 0.339 . . . . 74.010000000000005 110.909 -179.947 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.407 HG12 ' CD2' ' A' ' 5' ' ' LEU . 27.7 t . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.819 0.343 . . . . 74.209999999999994 111.11 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -54.99 -39.96 69.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 72.409999999999997 110.916 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.522 ' HB2' ' HD2' ' A' ' 12' ' ' ARG . . . -62.05 -40.29 95.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 52.539999999999999 111.09 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 10.8 t -62.37 -50.02 73.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 50.109999999999999 110.883 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.407 ' CD2' HG12 ' A' ' 1' ' ' VAL . 0.6 OUTLIER -79.02 155.61 77.38 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.605 0.717 . . . . 64.540000000000006 110.925 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 90.04 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.665 2.243 . . . . 63.299999999999997 112.371 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.8 -142.4 3.5 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.723 -0.751 . . . . 53.340000000000003 112.451 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.615 HD12 ' HB2' ' A' ' 10' ' ' PHE . 28.7 pt -104.67 -178.62 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.818 0.342 . . . . 44.039999999999999 111.143 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.3 pp -121.79 21.02 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 63.130000000000003 111.098 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.615 ' HB2' HD12 ' A' ' 8' ' ' ILE . 15.2 t80 -55.69 -50.05 71.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 65.420000000000002 110.871 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.1 t -57.92 -39.95 79.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 63.130000000000003 111.135 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.522 ' HD2' ' HB2' ' A' ' 3' ' ' ALA . 11.6 mtp180 -58.25 -41.91 85.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 62.009999999999998 110.855 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.7 t -61.05 -49.36 77.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 41.030000000000001 110.823 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 36.6 tp60 -60.24 -43.35 96.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 64.010000000000005 110.899 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.7 tptp -60.48 -46.79 88.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 62.32 110.883 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -154.35 151.61 29.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 61.229999999999997 110.911 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -111.6 -56.89 0.47 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.735 -0.745 . . . . 72.400000000000006 112.516 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.351 0 CA-C-O 120.847 0.356 . . . . 43.020000000000003 110.939 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 46.8 t . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.852 0.358 . . . . 70.530000000000001 111.106 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -54.83 -50.02 69.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 61.509999999999998 110.888 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -63.46 -39.93 95.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 30.449999999999999 111.074 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 13.3 t -60.16 -46.55 89.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 64.230000000000004 110.865 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -77.09 158.32 80.09 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.599 0.714 . . . . 74.230000000000004 110.924 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -7.25 20.58 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.646 2.231 . . . . 71.420000000000002 112.372 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -50.83 -89.22 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.748 -0.739 . . . . 72.319999999999993 112.49 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 16.1 pt -152.23 -178.08 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.834 0.35 . . . . 72.310000000000002 111.106 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.401 ' C ' HD12 ' A' ' 9' ' ' ILE . 1.9 pp -117.86 38.15 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 63.539999999999999 111.103 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -54.85 -47.4 74.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 72.439999999999998 110.873 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.2 t -58.84 -39.78 82.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 52.340000000000003 111.11 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.9 mmm180 -60.14 -50.05 75.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 64.540000000000006 110.85 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 11.0 t -61.89 -40.85 96.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 63.229999999999997 110.895 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 20.1 tm0? -59.08 -40.38 85.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.1 -0.5 . . . . 74.439999999999998 110.911 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.2 tmtm? -55.26 -43.97 75.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 60.399999999999999 110.892 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -92.18 106.45 18.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 64.200000000000003 110.899 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 110.71 75.92 0.83 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.753 -0.737 . . . . 41.0 112.506 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.9 tt . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 120.855 0.36 . . . . 61.210000000000001 110.884 -179.906 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 40.1 t . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.815 0.34 . . . . 65.310000000000002 111.143 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -59.44 -43.06 93.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 53.509999999999998 110.893 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.18 -43.69 95.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 64.549999999999997 111.11 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 34.3 m -64.26 -43.08 95.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 53.520000000000003 110.857 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.3 mp -73.97 160.62 81.36 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.641 0.734 . . . . 75.540000000000006 110.885 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -16.2 37.62 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.745 2.297 . . . . 72.040000000000006 112.331 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -58.19 -174.86 0.47 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.771 -0.728 . . . . 70.510000000000005 112.488 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -69.54 177.47 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.832 0.349 . . . . 63.409999999999997 111.102 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.52 ' O ' HD12 ' A' ' 9' ' ' ILE . 2.4 pp -142.15 23.74 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 73.239999999999995 111.139 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -55.37 -48.04 74.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 74.349999999999994 110.856 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.9 t -55.88 -40.07 72.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 64.310000000000002 111.152 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -59.36 -49.89 76.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 73.310000000000002 110.9 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.1 t -60.77 -40.04 91.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 74.230000000000004 110.827 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 39.7 tt0 -60.93 -42.58 98.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 72.299999999999997 110.892 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 20.0 tttp -61.92 -40.16 94.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 70.430000000000007 110.883 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -52.69 113.1 0.97 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 74.409999999999997 110.901 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 153.66 -31.57 0.76 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.703 -0.761 . . . . 63.210000000000001 112.482 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.6 mp . . . . . 0 C--N 1.329 -0.317 0 CA-C-O 120.783 0.325 . . . . 51.240000000000002 110.932 -179.958 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 23.8 t . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.824 0.345 . . . . 64.430000000000007 111.123 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -59.33 -42.05 90.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 61.240000000000002 110.85 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.454 ' HB2' ' HD2' ' A' ' 12' ' ' ARG . . . -64.98 -47.62 76.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 51.219999999999999 111.089 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.4 t -62.64 -49.68 74.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 65.430000000000007 110.873 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.572 HD23 ' HD2' ' A' ' 6' ' ' PRO . 0.2 OUTLIER -71.53 160.63 82.01 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.601 0.715 . . . . 73.239999999999995 110.922 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.572 ' HD2' HD23 ' A' ' 5' ' ' LEU . 53.6 Cg_endo -69.76 -8.58 23.97 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.695 2.263 . . . . 64.430000000000007 112.332 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -54.33 176.59 0.37 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.782 -0.723 . . . . 74.409999999999997 112.467 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -63.44 170.92 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.877 0.37 . . . . 54.020000000000003 111.099 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.52 ' O ' HD12 ' A' ' 9' ' ' ILE . 2.5 pp -131.13 22.75 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 74.549999999999997 111.096 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -56.26 -42.09 76.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 74.040000000000006 110.858 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.0 t -57.54 -39.95 77.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 73.519999999999996 111.132 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.454 ' HD2' ' HB2' ' A' ' 3' ' ' ALA . 67.0 mtp180 -64.11 -50.0 69.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 73.140000000000001 110.848 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 30.0 t -58.21 -47.57 83.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 71.109999999999999 110.87 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -64.98 -48.07 75.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 65.450000000000003 110.921 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.2 mmtp -56.42 -44.86 80.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 73.439999999999998 110.913 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -52.06 115.24 1.6 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 73.040000000000006 110.895 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -143.36 -146.11 4.51 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.754 -0.736 . . . . 73.319999999999993 112.49 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.8 tt . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 120.794 0.331 . . . . 74.340000000000003 110.898 -179.886 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 58.5 t . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.874 0.368 . . . . 71.109999999999999 111.127 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -58.64 -40.07 82.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 74.430000000000007 110.884 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.617 ' HB2' ' NE ' ' A' ' 12' ' ' ARG . . . -54.98 -49.93 70.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 52.32 111.106 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 11.0 t -64.98 -39.98 94.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 70.109999999999999 110.903 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 20.3 mt -58.47 159.24 12.55 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.56 0.695 . . . . 73.140000000000001 110.971 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -9.96 27.4 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.706 2.27 . . . . 73.010000000000005 112.337 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.76 -139.44 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.752 -0.737 . . . . 74.120000000000005 112.472 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.484 HD13 ' H ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -117.78 -179.52 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.846 0.355 . . . . 64.140000000000001 111.157 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.616 HG22 ' HA ' ' A' ' 3' ' ' ALA . 2.4 pp -118.4 22.87 5.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 70.129999999999995 111.102 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -59.75 -45.72 91.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 63.0 110.871 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.0 t -56.75 -40.03 75.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 74.409999999999997 111.149 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.617 ' NE ' ' HB2' ' A' ' 3' ' ' ALA . 28.0 mtm180 -59.63 -50.0 75.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 70.450000000000003 110.857 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.1 t -61.18 -45.81 93.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 72.420000000000002 110.849 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -57.05 -44.91 83.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 64.430000000000007 110.886 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 36.5 tptt -60.27 -44.32 95.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 74.230000000000004 110.901 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -52.49 -57.84 8.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.207 -0.451 . . . . 61.240000000000002 110.882 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 158.73 -98.48 0.17 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.7 -0.762 . . . . 53.229999999999997 112.472 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.418 ' O ' HD13 ' A' ' 18' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-O 120.857 0.361 . . . . 73.109999999999999 110.909 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 44.3 t . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.852 0.358 . . . . 74.109999999999999 111.147 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -62.91 -43.28 99.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 71.150000000000006 110.877 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -62.49 -44.02 97.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 74.319999999999993 111.069 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.21 -47.22 80.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 63.229999999999997 110.826 -179.727 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.423 HD23 ' HD2' ' A' ' 6' ' ' PRO . 0.0 OUTLIER -73.42 151.33 89.66 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.557 0.694 . . . . 75.030000000000001 110.906 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.423 ' HD2' HD23 ' A' ' 5' ' ' LEU . 53.8 Cg_endo -69.78 66.48 1.78 Allowed 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.73 2.287 . . . . 73.430000000000007 112.336 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.85 -144.29 5.73 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.761 -0.733 . . . . 62.0 112.517 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 28.7 pt -103.22 -176.9 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.81 0.338 . . . . 73.400000000000006 111.113 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.3 pp -121.35 21.47 5.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 73.439999999999998 111.09 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -55.01 -50.0 70.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 75.549999999999997 110.869 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.9 t -56.78 -39.92 74.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.138 -0.483 . . . . 65.319999999999993 111.154 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 28.5 mmm180 -57.3 -44.37 84.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 64.540000000000006 110.839 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 15.4 t -56.74 -40.73 76.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 75.099999999999994 110.817 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 17.1 tm0? -58.73 -45.22 90.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.485 . . . . 70.439999999999998 110.944 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -58.49 -43.77 89.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 53.119999999999997 110.93 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -75.87 101.95 5.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 72.430000000000007 110.915 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 103.13 -148.02 17.07 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.738 -0.744 . . . . 64.109999999999999 112.47 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.1 pt? . . . . . 0 C--N 1.328 -0.329 0 CA-C-O 120.806 0.336 . . . . 63.109999999999999 110.884 -179.925 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 34.9 t . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.902 0.382 . . . . 65.349999999999994 111.173 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -55.98 -41.66 75.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 75.120000000000005 110.856 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.96 -49.3 76.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 73.239999999999995 111.087 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 53.5 m -63.74 -49.14 74.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 75.120000000000005 110.862 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.46 150.41 93.88 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.605 0.717 . . . . 53.119999999999997 110.921 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 67.93 1.69 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.663 2.242 . . . . 62.229999999999997 112.326 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.71 -167.14 12.12 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.752 -0.737 . . . . 74.519999999999996 112.466 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.596 HD12 ' HB2' ' A' ' 10' ' ' PHE . 23.1 pt -78.06 176.9 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.811 0.339 . . . . 64.219999999999999 111.127 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.3 pp -121.49 21.44 5.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 70.230000000000004 111.136 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.596 ' HB2' HD12 ' A' ' 8' ' ' ILE . 2.2 t80 -56.3 -50.06 72.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 74.129999999999995 110.899 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.494 HG23 ' HD2' ' A' ' 12' ' ' ARG . 6.3 t -60.68 -39.68 89.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 72.049999999999997 111.165 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.494 ' HD2' HG23 ' A' ' 11' ' ' THR . 0.0 OUTLIER -55.62 -43.54 76.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.457 . . . . 74.120000000000005 110.882 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.4 t -64.53 -43.76 93.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 72.5 110.893 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 19.6 tp60 -62.87 -43.28 99.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.069 -0.514 . . . . 64.25 110.873 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.93 -48.1 83.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 73.420000000000002 110.898 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -61.62 -47.5 85.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 72.129999999999995 110.919 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 134.19 -76.05 0.4 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.709 -0.758 . . . . 71.209999999999994 112.535 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 120.841 0.353 . . . . 70.239999999999995 110.934 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 56.3 t . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.813 0.34 . . . . 74.409999999999997 111.108 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -56.41 -39.82 73.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 71.409999999999997 110.847 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -54.98 -50.13 69.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 51.450000000000003 111.055 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.8 m -65.04 -39.98 94.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 62.109999999999999 110.891 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.575 HD23 ' HD2' ' A' ' 6' ' ' PRO . 0.2 OUTLIER -76.41 160.91 76.51 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.645 0.736 . . . . 71.25 110.947 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.575 ' HD2' HD23 ' A' ' 5' ' ' LEU . 53.7 Cg_endo -69.8 -8.15 22.88 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.706 2.271 . . . . 53.229999999999997 112.319 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -51.85 171.26 0.35 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.708 -0.758 . . . . 64.239999999999995 112.438 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 28.0 pt -65.45 143.38 15.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.784 0.326 . . . . 74.109999999999999 111.157 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -83.78 4.52 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 65.019999999999996 111.17 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -63.33 -40.0 96.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 74.200000000000003 110.898 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 44.2 p -64.75 -50.19 67.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.091 -0.504 . . . . 54.109999999999999 111.13 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -65.13 -40.11 94.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 63.43 110.9 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 21.0 t -58.82 -48.86 79.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.471 . . . . 74.230000000000004 110.894 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -56.45 -43.62 79.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 70.109999999999999 110.911 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 42.9 tptt -64.29 -49.3 72.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 72.230000000000004 110.894 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 54.68 36.95 27.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 70.140000000000001 110.863 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -90.48 -138.87 7.62 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.743 -0.741 . . . . 52.43 112.458 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.479 ' H ' HD23 ' A' ' 18' ' ' LEU . 1.4 pt? . . . . . 0 C--N 1.329 -0.325 0 CA-C-O 120.81 0.338 . . . . 73.400000000000006 110.896 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 23.2 t . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.825 0.345 . . . . 71.019999999999996 111.105 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -60.16 -39.87 87.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 71.239999999999995 110.87 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.76 ' HB2' ' HD2' ' A' ' 12' ' ' ARG . . . -54.86 -50.06 69.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 64.329999999999998 111.123 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.6 m -65.2 -39.96 93.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 74.219999999999999 110.842 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.8 mp -73.44 161.11 80.56 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.579 0.704 . . . . 74.230000000000004 110.943 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -8.25 23.12 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.717 2.278 . . . . 65.319999999999993 112.32 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -52.13 172.08 0.34 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.726 -0.749 . . . . 72.230000000000004 112.497 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 23.1 pt -63.52 138.64 22.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.771 0.32 . . . . 72.439999999999998 111.146 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -84.32 4.74 2.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.224 -0.444 . . . . 75.439999999999998 111.1 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -54.77 -47.65 73.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 75.010000000000005 110.894 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.0 t -55.01 -39.96 69.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 70.25 111.12 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.76 ' HD2' ' HB2' ' A' ' 3' ' ' ALA . 2.5 mmp_? -64.53 -48.41 75.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 73.549999999999997 110.84 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 23.0 t -64.55 -42.48 95.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 72.340000000000003 110.875 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 69.9 tp60 -58.32 -48.94 78.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 75.099999999999994 110.863 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.3 ttpp -55.13 -49.7 71.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 72.450000000000003 110.871 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -55.33 152.79 7.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.253 -0.43 . . . . 74.329999999999998 110.897 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 104.16 -64.26 0.35 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.765 -0.731 . . . . 62.130000000000003 112.461 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.7 tt . . . . . 0 C--N 1.328 -0.345 0 CA-C-O 120.829 0.347 . . . . 73.129999999999995 110.98 -179.958 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 25.4 t . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.858 0.361 . . . . 75.5 111.169 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -59.47 -39.94 85.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 72.530000000000001 110.877 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.413 ' HB2' ' HD2' ' A' ' 12' ' ' ARG . . . -54.97 -50.07 69.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 54.43 111.061 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.2 m -65.0 -39.99 94.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 63.409999999999997 110.848 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 20.3 mt -76.97 159.22 79.03 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.595 0.712 . . . . 72.319999999999993 110.92 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -9.96 27.4 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.702 2.268 . . . . 72.420000000000002 112.312 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -52.12 171.74 0.36 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.797 -0.716 . . . . 63.229999999999997 112.463 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.52 HD12 ' HB2' ' A' ' 10' ' ' PHE . 30.3 pt -64.76 147.46 12.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.841 0.353 . . . . 72.129999999999995 111.161 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -83.29 3.86 2.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 72.329999999999998 111.143 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.52 ' HB2' HD12 ' A' ' 8' ' ' ILE . 0.4 OUTLIER -54.92 -50.02 69.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 72.530000000000001 110.879 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -59.98 -41.02 91.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 63.399999999999999 111.113 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.413 ' HD2' ' HB2' ' A' ' 3' ' ' ALA . 6.0 mmp_? -64.94 -46.21 82.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.454 . . . . 72.239999999999995 110.885 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.2 t -63.76 -44.49 93.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 62.229999999999997 110.819 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -55.3 -42.85 74.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 53.210000000000001 110.896 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.3 tmmm? -58.16 -40.58 81.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 75.430000000000007 110.918 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -81.36 124.89 29.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.215 -0.448 . . . . 64.310000000000002 110.86 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 161.87 -81.19 0.14 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.692 -0.766 . . . . 55.409999999999997 112.454 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-O 120.788 0.328 . . . . 75.400000000000006 110.883 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 41.7 t . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.868 0.366 . . . . 74.230000000000004 111.176 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -58.26 -40.01 80.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 73.439999999999998 110.874 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.676 ' HB2' ' HD2' ' A' ' 12' ' ' ARG . . . -54.88 -50.11 69.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 64.530000000000001 111.109 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 25.4 t -65.02 -40.0 94.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 44.299999999999997 110.853 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 20.2 mt -77.16 159.27 78.44 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.613 0.721 . . . . 74.209999999999994 110.938 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -8.53 23.84 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.653 2.235 . . . . 42.039999999999999 112.361 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -52.13 171.98 0.35 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.722 -0.751 . . . . 73.400000000000006 112.521 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.485 HD12 ' HB2' ' A' ' 10' ' ' PHE . 27.8 pt -64.91 144.33 14.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.861 0.363 . . . . 75.430000000000007 111.08 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -83.36 3.95 2.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.489 . . . . 62.009999999999998 111.119 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.485 ' HB2' HD12 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -54.96 -41.76 71.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 65.120000000000005 110.895 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.2 p -54.98 -40.16 69.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 64.040000000000006 111.141 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.676 ' HD2' ' HB2' ' A' ' 3' ' ' ALA . 27.2 mtp85 -64.05 -49.62 71.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.424 . . . . 75.329999999999998 110.878 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 13.8 t -62.94 -40.4 97.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 72.129999999999995 110.863 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -60.58 -40.23 90.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 72.319999999999993 110.914 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -59.12 -40.05 84.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 73.120000000000005 110.896 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 60.6 34.99 20.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.43 . . . . 75.150000000000006 110.908 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 74.14 -156.62 50.41 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.775 -0.726 . . . . 54.100000000000001 112.497 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.6 tt . . . . . 0 C--N 1.328 -0.341 0 CA-C-O 120.8 0.334 . . . . 64.209999999999994 110.95 -179.944 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 22.0 t . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.815 0.341 . . . . 72.109999999999999 111.079 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.41 -39.99 77.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 71.540000000000006 110.896 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -54.95 -50.05 69.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 74.420000000000002 111.07 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 17.8 m -64.97 -40.05 94.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 75.239999999999995 110.863 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.2 mp -70.78 160.7 81.14 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.629 0.728 . . . . 62.140000000000001 110.904 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -12.64 33.32 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.662 2.241 . . . . 53.140000000000001 112.373 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -52.29 172.23 0.35 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.75 -0.738 . . . . 60.219999999999999 112.465 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.624 HD12 ' HB2' ' A' ' 10' ' ' PHE . 16.4 pt -63.81 -171.5 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.753 0.311 . . . . 74.310000000000002 111.148 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.514 HD13 ' H ' ' A' ' 9' ' ' ILE . 0.1 OUTLIER -126.91 6.09 3.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 70.129999999999995 111.103 179.849 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.624 ' HB2' HD12 ' A' ' 8' ' ' ILE . 0.5 OUTLIER -54.56 -49.94 69.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 72.439999999999998 110.894 179.913 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.0 t -57.17 -40.02 76.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 75.019999999999996 111.129 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.5 ttp180 -57.82 -48.07 80.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 72.129999999999995 110.864 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 41.6 t -55.76 -43.24 76.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 74.129999999999995 110.851 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 48.1 tp60 -63.9 -49.63 71.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 75.099999999999994 110.947 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 39.2 mmtt -55.64 -49.1 73.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 72.450000000000003 110.913 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -99.31 84.82 3.07 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.168 -0.469 . . . . 74.140000000000001 110.881 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -149.43 -112.99 0.64 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.75 -0.738 . . . . 63.350000000000001 112.494 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 13.6 tp . . . . . 0 C--N 1.328 -0.345 0 CA-C-O 120.815 0.341 . . . . 72.430000000000007 110.912 -179.908 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 54.8 t . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.883 0.373 . . . . 73.409999999999997 111.153 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -61.63 -41.04 96.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 72.409999999999997 110.868 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.475 ' HB2' ' NH1' ' A' ' 12' ' ' ARG . . . -58.1 -50.01 74.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 54.329999999999998 111.123 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 27.0 t -64.96 -40.38 94.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 74.319999999999993 110.876 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 20.2 mt -70.78 159.21 86.03 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.649 0.738 . . . . 74.219999999999999 110.895 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -10.51 28.77 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.697 2.265 . . . . 61.350000000000001 112.347 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -53.77 175.14 0.38 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.709 -0.758 . . . . 74.540000000000006 112.493 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 17.1 pt -59.65 -173.32 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.851 0.358 . . . . 73.150000000000006 111.09 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.468 HD13 ' H ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -132.09 5.13 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 74.120000000000005 111.139 179.902 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -65.26 -41.27 94.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 73.150000000000006 110.865 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 62.4 p -65.05 -50.34 66.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 74.420000000000002 111.151 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.475 ' NH1' ' HB2' ' A' ' 3' ' ' ALA . 0.0 OUTLIER -65.23 -39.88 93.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 74.519999999999996 110.907 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 33.8 t -63.18 -40.04 96.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 54.240000000000002 110.864 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -56.47 -45.7 80.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 72.530000000000001 110.922 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.8 mtpp -64.31 -48.11 76.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 74.329999999999998 110.892 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 54.19 37.71 27.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 75.310000000000002 110.878 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -94.68 -118.11 3.05 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.755 -0.736 . . . . 65.200000000000003 112.471 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.2 pt? . . . . . 0 C--N 1.328 -0.34 0 CA-C-O 120.863 0.363 . . . . 73.349999999999994 110.891 -179.881 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 40.3 t . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.877 0.37 . . . . 44.200000000000003 111.104 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.51 -39.85 94.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 73.150000000000006 110.886 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -54.83 -50.11 69.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 64.129999999999995 111.075 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 70.8 m -65.09 -39.98 93.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 75.340000000000003 110.867 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 20.3 mt -71.96 159.39 85.59 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.65 0.738 . . . . 73.439999999999998 110.897 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -8.32 23.32 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.697 2.265 . . . . 75.010000000000005 112.349 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -53.21 174.18 0.34 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.765 -0.731 . . . . 74.319999999999993 112.492 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.7 pt -67.7 -171.91 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.819 0.343 . . . . 64.310000000000002 111.163 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.499 HD13 ' H ' ' A' ' 9' ' ' ILE . 0.1 OUTLIER -124.71 6.1 4.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 53.039999999999999 111.127 179.888 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -54.41 -41.19 69.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 74.409999999999997 110.827 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.0 t -55.43 -39.95 70.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 74.140000000000001 111.168 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 36.5 mtp180 -65.0 -49.98 68.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 63.340000000000003 110.82 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.1 t -55.68 -40.17 71.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 71.420000000000002 110.88 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.7 tp60 -62.3 -46.16 90.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.105 -0.498 . . . . 61.350000000000001 110.88 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.36 -40.14 93.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 53.140000000000001 110.902 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -94.25 80.05 3.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 74.230000000000004 110.87 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -151.01 -128.23 1.48 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.756 -0.735 . . . . 74.230000000000004 112.503 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 56.1 tp . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 120.816 0.341 . . . . 63.409999999999997 110.896 -179.95 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 38.4 t . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.871 0.367 . . . . 74.510000000000005 111.162 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -57.16 -47.78 80.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 73.439999999999998 110.882 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.63 -49.95 74.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 61.119999999999997 111.106 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.0 m -63.9 -39.83 95.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 60.119999999999997 110.841 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 20.3 mt -51.64 159.17 1.33 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.63 0.729 . . . . 72.549999999999997 110.925 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -8.08 22.69 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.721 2.281 . . . . 70.319999999999993 112.311 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -64.23 -108.62 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.73 -0.748 . . . . 54.130000000000003 112.521 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -144.49 -176.71 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.814 0.34 . . . . 73.349999999999994 111.132 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.3 pp -121.19 21.88 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 73.409999999999997 111.172 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -54.93 -47.05 74.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 73.109999999999999 110.882 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.48 HG23 ' HD2' ' A' ' 12' ' ' ARG . 7.5 t -55.01 -39.43 69.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 75.319999999999993 111.105 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.48 ' HD2' HG23 ' A' ' 11' ' ' THR . 1.4 mpt_? -64.96 -44.61 88.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 70.310000000000002 110.875 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 41.0 m -62.02 -43.33 99.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 64.530000000000001 110.884 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.54 -48.83 77.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 70.400000000000006 110.914 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? -56.02 -49.21 74.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 72.530000000000001 110.926 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -52.05 146.48 8.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 64.430000000000007 110.902 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -179.75 172.24 43.91 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.765 -0.731 . . . . 43.130000000000003 112.521 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 24.9 mt . . . . . 0 C--N 1.329 -0.323 0 CA-C-O 120.822 0.344 . . . . 74.420000000000002 110.945 -179.979 . . . . . . . . 0 0 . 1 stop_ save_