data_6a8y_residue ############################ # Computer software used # ############################ save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 6a8y _Structure_validation_residue.Date_analyzed 2019-07-12 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 ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.488 -0.245 . . . . 73.42 112.488 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 46.7 t -91.55 -13.4 8.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.883 0.373 . . . . 74.11 111.109 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.3 t -54.95 -18.74 5.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 75.45 111.152 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.8 tttt -55.6 -41.89 74.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 73.21 110.86 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -81.89 -21.49 37.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 74.25 110.891 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.5 t -85.13 -18.65 33.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 75.01 110.872 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.507 ' O ' ' C ' ' A' ' 15' ' ' SER . 4.5 pp -100.03 -32.03 11.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 74.04 110.945 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.508 ' N ' ' HD2' ' A' ' 16' ' ' PRO . 0.0 OUTLIER -29.26 -58.91 0.25 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.666 0.746 . . . . 74.12 110.86 -179.898 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.508 ' HD2' ' N ' ' A' ' 15' ' ' SER . 53.5 Cg_endo -69.81 57.46 1.5 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.632 2.221 . . . . 72.25 112.346 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -140.87 -169.18 2.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 73.12 110.816 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 30.9 mtt85 -48.49 105.67 0.53 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.627 0.727 . . . . 71.24 110.868 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -1.38 8.35 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.726 2.284 . . . . 73.44 112.35 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.07 -66.06 0.6 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 73.32 110.899 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -87.63 -13.08 43.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 74.55 110.861 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -50.1 -24.42 2.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 73.1 110.845 -179.745 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 79.9 mtm180 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 74.22 110.857 -179.944 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 N-CA-C 112.493 -0.243 . . . . 74.44 112.493 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 46.9 t -91.44 -13.22 9.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.898 0.38 . . . . 74.11 111.13 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.7 t -51.82 -21.44 2.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 72.23 111.162 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.37 -40.66 62.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 71.43 110.884 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.27 -23.3 35.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 75.22 110.823 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -82.22 -18.99 40.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 43.22 110.852 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.495 ' O ' ' C ' ' A' ' 15' ' ' SER . 4.2 pp -100.76 -30.4 11.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.103 -0.499 . . . . 72.21 110.88 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.512 ' N ' ' HD2' ' A' ' 16' ' ' PRO . 0.7 OUTLIER -29.8 -58.66 0.28 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.688 0.756 . . . . 75.23 110.852 -179.939 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.512 ' HD2' ' N ' ' A' ' 15' ' ' SER . 53.5 Cg_endo -69.77 56.55 1.4 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.666 2.244 . . . . 73.12 112.321 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -138.34 -167.93 2.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 62.52 110.884 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.1 mtt180 -47.67 105.5 0.5 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.636 0.731 . . . . 70.34 110.867 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -1.85 9.21 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.708 2.272 . . . . 74.11 112.323 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.1 mtm180 -60.63 -68.2 0.32 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 72.41 110.858 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -86.47 -13.63 45.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 72.35 110.863 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -48.81 -25.06 1.66 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 74.24 110.844 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 71.32 110.843 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.467 -0.253 . . . . 42.12 112.467 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 47.4 t -91.45 -13.51 8.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.916 0.389 . . . . 74.55 111.136 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.5 t -60.27 -13.5 13.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 75.44 111.128 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.41 -41.72 60.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 73.43 110.864 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -84.0 -16.15 45.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 73.2 110.883 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.7 t -89.68 -17.62 28.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 72.45 110.831 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.495 ' O ' ' C ' ' A' ' 15' ' ' SER . 4.5 pp -99.04 -32.77 11.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 74.21 110.928 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.517 ' N ' ' HD2' ' A' ' 16' ' ' PRO . 0.0 OUTLIER -29.78 -58.53 0.28 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.64 0.733 . . . . 62.24 110.863 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' A' ' 15' ' ' SER . 53.3 Cg_endo -69.76 57.09 1.45 Allowed 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.752 2.301 . . . . 72.54 112.354 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -140.37 -168.67 2.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.2 -0.454 . . . . 75.14 110.877 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.5 mtm180 -48.17 105.72 0.53 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.567 0.699 . . . . 75.02 110.873 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.74 -1.97 9.35 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.693 2.262 . . . . 73.23 112.323 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.2 mtp180 -60.15 -68.14 0.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 75.1 110.885 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -86.36 -13.69 45.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 74.22 110.839 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -49.54 -24.64 2.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 75.03 110.869 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 77.6 mtm180 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 74.31 110.885 -179.963 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.501 -0.24 . . . . 75.2 112.501 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 47.2 t -91.5 -13.43 8.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.906 0.384 . . . . 73.12 111.132 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.7 t -59.25 -14.27 10.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 74.21 111.167 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.7 pttt -51.17 -41.39 60.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 70.43 110.913 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -83.73 -18.62 37.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 75.13 110.877 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.37 -18.13 32.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 71.54 110.853 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.494 ' O ' ' C ' ' A' ' 15' ' ' SER . 4.5 pp -99.69 -31.56 11.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 64.22 110.897 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.511 ' N ' ' HD2' ' A' ' 16' ' ' PRO . 0.0 OUTLIER -29.58 -59.01 0.27 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.632 0.73 . . . . 61.54 110.817 -179.896 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.511 ' HD2' ' N ' ' A' ' 15' ' ' SER . 53.2 Cg_endo -69.79 57.23 1.47 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.706 2.271 . . . . 74.24 112.282 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -139.97 -168.66 2.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.448 . . . . 75.32 110.835 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 9.9 mtt180 -48.18 105.66 0.52 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.621 0.724 . . . . 72.54 110.917 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 -1.95 9.31 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.693 2.262 . . . . 73.32 112.38 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -60.49 -67.99 0.34 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 73.55 110.908 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -86.42 -13.51 46.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 74.31 110.843 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -49.47 -24.76 2.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 71.15 110.857 -179.781 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 18.7 mtm180 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.092 -0.503 . . . . 75.41 110.891 -179.94 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 N-CA-C 112.457 -0.257 . . . . 74.4 112.457 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 47.8 t -91.42 -13.65 8.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.926 0.393 . . . . 75.14 111.13 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.7 t -54.18 -19.67 5.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 71.31 111.117 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.9 -41.49 67.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 74.54 110.92 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -81.93 -22.65 36.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 74.23 110.89 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.9 t -83.15 -19.15 37.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 75.42 110.876 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.51 ' O ' ' C ' ' A' ' 15' ' ' SER . 4.3 pp -100.4 -29.96 12.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 73.45 110.928 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.51 ' C ' ' O ' ' A' ' 14' ' ' LEU . 0.7 OUTLIER -29.53 -58.69 0.27 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.669 0.747 . . . . 73.52 110.82 -179.913 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.507 ' HD2' ' N ' ' A' ' 15' ' ' SER . 53.3 Cg_endo -69.8 56.25 1.38 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.636 2.224 . . . . 71.13 112.353 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -137.74 -167.89 2.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 72.33 110.85 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.67 105.41 0.49 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.606 0.717 . . . . 74.12 110.857 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -1.45 8.5 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.665 2.244 . . . . 71.4 112.361 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.3 mtt180 -59.31 -68.46 0.27 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 74.11 110.86 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -86.28 -15.19 41.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 65.02 110.886 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.64 -22.28 0.74 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 71.41 110.878 -179.774 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.3 mmm-85 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 74.51 110.856 -179.939 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.47 -0.252 . . . . 73.14 112.47 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 46.6 t -91.26 -13.32 9.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.893 0.378 . . . . 71.01 111.152 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.7 t -56.59 -16.61 6.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 75.52 111.128 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.79 -40.85 56.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 75.54 110.867 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.83 -20.77 32.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 71.54 110.832 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.1 t -83.59 -18.61 37.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.429 . . . . 73.22 110.845 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.486 ' O ' ' C ' ' A' ' 15' ' ' SER . 4.2 pp -100.02 -30.53 11.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 72.21 110.953 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.528 ' N ' ' HD2' ' A' ' 16' ' ' PRO . 0.0 OUTLIER -30.39 -57.63 0.32 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.639 0.733 . . . . 73.32 110.834 -179.905 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.528 ' HD2' ' N ' ' A' ' 15' ' ' SER . 53.5 Cg_endo -69.8 55.44 1.29 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.707 2.272 . . . . 73.23 112.323 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -137.37 -167.25 2.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 73.33 110.864 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.34 105.25 0.47 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.576 0.703 . . . . 75.01 110.879 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -1.75 8.97 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.74 2.294 . . . . 65.53 112.332 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.4 mtm180 -60.24 -68.59 0.28 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 74.41 110.9 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -86.52 -14.07 44.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 75.22 110.855 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.17 -25.19 1.39 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.26 -0.427 . . . . 72.24 110.854 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 74.33 110.84 -179.895 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.471 -0.252 . . . . 72.04 112.471 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 46.4 t -91.44 -13.47 8.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.916 0.388 . . . . 65.2 111.154 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.1 t -55.04 -18.72 5.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 74.01 111.168 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.47 -41.71 69.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 75.35 110.858 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -82.19 -20.86 36.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.287 -0.415 . . . . 74.3 110.872 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -85.52 -18.59 33.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 62.14 110.849 -179.751 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.507 ' O ' ' C ' ' A' ' 15' ' ' SER . 4.2 pp -100.49 -30.07 12.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 74.12 110.969 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.508 ' N ' ' HD2' ' A' ' 16' ' ' PRO . 0.0 OUTLIER -29.31 -58.91 0.26 Allowed Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.707 0.765 . . . . 72.41 110.88 -179.92 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.508 ' HD2' ' N ' ' A' ' 15' ' ' SER . 53.4 Cg_endo -69.78 56.12 1.36 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.687 2.258 . . . . 65.11 112.351 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -137.11 -168.35 2.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 73.14 110.85 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -47.63 105.29 0.47 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.612 0.72 . . . . 75.21 110.88 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -0.39 6.85 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.67 2.246 . . . . 74.03 112.333 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.3 ttt180 -61.25 -66.46 0.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 65.21 110.877 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -87.71 -14.45 39.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 75.14 110.879 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.28 -21.89 0.94 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 64.42 110.852 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 74.01 110.845 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.461 -0.256 . . . . 64.33 112.461 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 46.6 t -91.65 -13.3 8.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.878 0.371 . . . . 73.24 111.124 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.6 t -59.05 -14.44 9.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 64.24 111.196 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.14 -41.27 59.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 71.03 110.924 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -83.87 -19.08 35.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 74.13 110.857 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -85.82 -18.16 33.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 71.21 110.864 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.491 ' O ' ' C ' ' A' ' 15' ' ' SER . 4.5 pp -99.67 -31.72 11.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.1 -0.5 . . . . 72.45 110.955 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.509 ' N ' ' HD2' ' A' ' 16' ' ' PRO . 0.0 OUTLIER -29.46 -58.89 0.26 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.632 0.73 . . . . 73.33 110.836 -179.916 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.509 ' HD2' ' N ' ' A' ' 15' ' ' SER . 53.2 Cg_endo -69.82 57.06 1.47 Allowed 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.697 2.264 . . . . 65.22 112.335 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -140.08 -169.12 2.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 74.12 110.859 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.4 mtp85 -48.38 105.55 0.51 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.556 0.693 . . . . 72.11 110.862 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -1.4 8.42 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.668 2.246 . . . . 64.23 112.337 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.455 ' HG3' ' N ' ' A' ' 21' ' ' HIS . 0.2 OUTLIER -61.76 -65.45 0.69 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 75.41 110.896 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.455 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -88.74 -13.0 40.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.145 -0.48 . . . . 74.33 110.852 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.1 t -49.88 -24.54 2.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 54.25 110.874 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 52.0 mtt180 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 73.25 110.858 -179.948 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.515 -0.234 . . . . 74.52 112.515 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 46.8 t -91.44 -13.28 8.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.87 0.367 . . . . 72.42 111.122 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.5 t -52.01 -21.18 2.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 73.33 111.149 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.33 -40.6 59.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 74.2 110.912 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.2 -21.04 36.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 75.32 110.883 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -85.15 -18.45 34.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 60.32 110.889 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.513 ' O ' ' C ' ' A' ' 15' ' ' SER . 4.5 pp -100.4 -31.91 11.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.092 -0.504 . . . . 75.34 110.891 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.513 ' C ' ' O ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -29.32 -59.01 0.25 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.631 0.729 . . . . 74.43 110.822 -179.936 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.509 ' HD2' ' N ' ' A' ' 15' ' ' SER . 53.7 Cg_endo -69.76 57.17 1.46 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.703 2.269 . . . . 74.12 112.353 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -140.13 -169.01 2.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 75.25 110.783 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.4 mtt-85 -48.3 105.52 0.51 Allowed Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.586 0.708 . . . . 72.23 110.913 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -1.31 8.22 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.693 2.262 . . . . 72.24 112.374 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.476 ' HG3' ' N ' ' A' ' 21' ' ' HIS . 0.2 OUTLIER -61.77 -65.54 0.67 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 74.25 110.87 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.476 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -88.75 -12.96 40.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.458 . . . . 74.41 110.827 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -49.89 -24.64 2.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 71.35 110.842 -179.791 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.9 mtm180 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 72.44 110.905 -179.976 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.495 -0.242 . . . . 30.44 112.495 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 47.3 t -91.5 -13.44 8.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.908 0.385 . . . . 73.5 111.141 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.6 t -59.35 -14.23 11.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 73.44 111.174 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.24 -41.36 60.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 74.03 110.898 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -83.68 -18.43 38.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 73.43 110.888 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.7 -18.05 32.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 61.34 110.848 -179.826 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.509 ' O ' ' C ' ' A' ' 15' ' ' SER . 4.5 pp -99.69 -31.59 11.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.135 -0.484 . . . . 71.54 110.927 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.509 ' C ' ' O ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -29.37 -58.94 0.26 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.634 0.731 . . . . 75.3 110.895 -179.927 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.505 ' HD2' ' N ' ' A' ' 15' ' ' SER . 53.6 Cg_endo -69.78 56.98 1.45 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.705 2.27 . . . . 74.21 112.341 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -139.63 -168.92 2.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 74.25 110.835 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.3 mtt180 -48.11 105.59 0.51 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.573 0.701 . . . . 72.21 110.851 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -1.2 8.1 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.656 2.237 . . . . 73.42 112.359 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.8 ttm180 -61.88 -66.19 0.58 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 73.43 110.888 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -87.63 -13.44 42.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 75.12 110.866 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -49.87 -24.44 2.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 74.31 110.824 -179.756 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.5 mtm180 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.481 . . . . 72.32 110.881 -179.948 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.487 -0.245 . . . . 61.44 112.487 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 46.5 t -91.46 -13.38 8.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.909 0.385 . . . . 75.33 111.102 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.2 t -55.17 -18.61 6.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 73.11 111.165 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.16 -41.78 72.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 74.44 110.896 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -82.28 -21.32 36.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 75.42 110.918 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -85.18 -18.35 34.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 74.54 110.844 -179.785 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.489 ' O ' ' C ' ' A' ' 15' ' ' SER . 4.5 pp -100.24 -31.72 11.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 71.24 110.92 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.508 ' N ' ' HD2' ' A' ' 16' ' ' PRO . 0.0 OUTLIER -29.29 -58.99 0.25 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.692 0.758 . . . . 61.34 110.835 -179.895 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.508 ' HD2' ' N ' ' A' ' 15' ' ' SER . 54.0 Cg_endo -69.8 56.99 1.46 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.674 2.25 . . . . 74.22 112.312 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -139.56 -168.84 2.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 75.51 110.833 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 9.9 mmm180 -48.07 105.55 0.51 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.603 0.716 . . . . 74.03 110.893 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -1.18 8.03 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.684 2.256 . . . . 63.01 112.347 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.46 ' HG3' ' N ' ' A' ' 21' ' ' HIS . 0.0 OUTLIER -61.56 -65.71 0.65 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 74.14 110.871 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.46 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -88.65 -13.35 40.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 73.41 110.86 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -49.72 -24.62 2.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 62.42 110.877 -179.758 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 13.0 mtt-85 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.114 -0.494 . . . . 74.51 110.82 -179.945 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.521 -0.232 . . . . 74.13 112.521 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 47.6 t -91.41 -13.23 9.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.932 0.396 . . . . 71.45 111.152 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.7 t -58.14 -15.48 9.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 74.22 111.124 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.09 -41.32 59.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 73.12 110.867 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.96 -18.52 36.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 75.25 110.874 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 10.2 t -86.19 -18.26 32.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 64.51 110.862 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.505 ' O ' ' C ' ' A' ' 15' ' ' SER . 4.2 pp -99.87 -29.88 12.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 74.43 110.898 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.505 ' C ' ' O ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -29.8 -58.79 0.28 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.611 0.72 . . . . 74.55 110.862 -179.918 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.505 ' HD2' ' N ' ' A' ' 15' ' ' SER . 53.8 Cg_endo -69.82 56.3 1.39 Allowed 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.681 2.254 . . . . 74.43 112.338 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -137.13 -167.95 2.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.433 . . . . 72.13 110.874 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.2 mtm180 -47.62 105.52 0.5 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.632 0.729 . . . . 72.01 110.832 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -1.52 8.6 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.716 2.277 . . . . 75.3 112.301 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -59.34 -68.31 0.29 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 74.13 110.84 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -86.52 -15.11 41.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 70.1 110.852 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.52 -22.3 0.71 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.443 . . . . 70.41 110.825 -179.766 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.1 mtm180 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 73.01 110.901 -179.938 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.49 -0.244 . . . . 54.11 112.49 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 46.9 t -91.31 -13.36 9.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.849 0.357 . . . . 71.42 111.113 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.9 t -52.28 -19.72 2.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 74.41 111.116 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.84 -40.79 61.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 74.32 110.908 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -83.21 -17.02 44.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 73.42 110.86 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -89.73 -18.01 27.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 71.11 110.876 -179.803 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.496 ' O ' ' C ' ' A' ' 15' ' ' SER . 4.4 pp -99.58 -30.92 11.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.104 -0.498 . . . . 74.31 110.909 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.517 ' N ' ' HD2' ' A' ' 16' ' ' PRO . 0.0 OUTLIER -30.03 -58.43 0.29 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.668 0.747 . . . . 62.41 110.85 -179.934 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' A' ' 15' ' ' SER . 53.9 Cg_endo -69.72 56.03 1.32 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.628 2.219 . . . . 75.05 112.361 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -137.14 -167.88 2.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.238 -0.437 . . . . 75.35 110.867 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.9 mtm180 -47.46 105.46 0.49 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.613 0.72 . . . . 75.54 110.859 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -1.43 8.44 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.705 2.27 . . . . 64.2 112.323 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.1 mtt-85 -59.08 -68.45 0.27 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 75.21 110.906 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -86.37 -15.48 40.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 73.52 110.848 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.29 -22.36 0.66 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 71.24 110.852 -179.757 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.8 mtt85 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 75.3 110.849 -179.94 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.262 0 N-CA-C 112.467 -0.253 . . . . 74.23 112.467 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 47.5 t -91.51 -13.39 8.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.88 0.371 . . . . 73.41 111.119 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.6 t -59.4 -14.18 11.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 72.34 111.113 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.28 -41.39 60.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 73.3 110.914 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -83.67 -18.64 37.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 75.35 110.888 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.27 -18.27 32.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 74.53 110.902 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.5 ' O ' ' C ' ' A' ' 15' ' ' SER . 4.3 pp -99.98 -29.76 12.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 75.52 110.894 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.512 ' N ' ' HD2' ' A' ' 16' ' ' PRO . 0.0 OUTLIER -29.66 -58.96 0.27 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.644 0.735 . . . . 75.41 110.842 -179.907 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.512 ' HD2' ' N ' ' A' ' 15' ' ' SER . 53.7 Cg_endo -69.78 56.34 1.38 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.654 2.236 . . . . 72.45 112.364 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -137.22 -167.98 2.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.184 -0.462 . . . . 72.12 110.891 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.8 mtp180 -47.66 105.47 0.49 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.642 0.734 . . . . 74.23 110.874 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -1.29 8.27 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.664 2.243 . . . . 74.4 112.329 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.1 mtp85 -59.21 -68.42 0.28 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 73.12 110.866 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -86.48 -15.35 40.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 73.42 110.805 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.14 -22.55 0.65 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 70.12 110.834 -179.774 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 64.3 110.836 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.474 -0.251 . . . . 74.24 112.474 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 46.8 t -91.51 -13.45 8.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.925 0.393 . . . . 72.04 111.101 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.2 t -55.0 -18.75 5.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 74.1 111.154 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.64 -41.72 70.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 72.24 110.942 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -82.25 -21.13 36.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 73.01 110.899 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -85.2 -18.45 34.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 54.03 110.882 -179.82 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.513 ' O ' ' C ' ' A' ' 15' ' ' SER . 4.4 pp -100.27 -31.17 11.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 75.31 110.926 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.513 ' C ' ' O ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -28.4 -58.94 0.23 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.683 0.754 . . . . 74.41 110.876 -179.942 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.508 ' HD2' ' N ' ' A' ' 15' ' ' SER . 53.8 Cg_endo -69.74 58.28 1.54 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.689 2.259 . . . . 72.03 112.316 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -142.87 -168.97 2.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.434 . . . . 75.32 110.852 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.26 106.1 0.57 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.557 0.694 . . . . 75.25 110.905 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -0.87 7.56 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.705 2.27 . . . . 73.23 112.338 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.461 ' HG3' ' N ' ' A' ' 21' ' ' HIS . 0.2 OUTLIER -61.57 -65.06 0.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 71.54 110.881 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.461 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -89.07 -12.66 40.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 75.13 110.879 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -52.54 -21.07 3.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 62.25 110.896 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.9 mtt180 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.084 -0.507 . . . . 74.53 110.89 -179.937 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.248 0 N-CA-C 112.461 -0.255 . . . . 75.51 112.461 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 46.3 t -91.45 -13.43 8.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.929 0.395 . . . . 74.03 111.12 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.9 t -55.9 -17.87 7.57 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.198 -0.456 . . . . 73.51 111.141 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.34 -41.7 72.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 65.31 110.916 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -82.83 -19.26 37.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 72.13 110.903 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -88.24 -18.04 29.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 71.42 110.82 -179.812 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.499 ' O ' ' C ' ' A' ' 15' ' ' SER . 4.3 pp -99.7 -30.72 11.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.18 -0.464 . . . . 62.42 110.941 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.521 ' N ' ' HD2' ' A' ' 16' ' ' PRO . 0.1 OUTLIER -29.8 -58.22 0.29 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.664 0.745 . . . . 73.01 110.85 -179.906 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.521 ' HD2' ' N ' ' A' ' 15' ' ' SER . 54.0 Cg_endo -69.76 55.88 1.32 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.679 2.253 . . . . 74.45 112.348 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -137.12 -168.35 2.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 74.01 110.818 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 37.7 mtt180 -47.5 105.29 0.47 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.588 0.708 . . . . 72.42 110.863 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 -0.34 6.74 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.701 2.268 . . . . 72.45 112.372 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.24 -66.45 0.53 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 74.45 110.842 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -87.74 -14.58 39.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 72.24 110.847 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.2 -21.9 0.89 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 51.33 110.825 -179.761 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.5 mmt85 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 75.42 110.878 -179.939 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.495 -0.242 . . . . 74.02 112.495 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 76.4 t -91.1 -20.44 6.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.927 0.394 . . . . 72.11 111.156 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 14.7 t -57.82 -17.1 13.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 74.03 111.108 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.05 -42.32 76.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 72.44 110.94 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.6 ptm180 -82.21 -20.32 37.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 74.31 110.861 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -85.98 -18.39 32.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 63.13 110.875 -179.776 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.491 ' O ' ' C ' ' A' ' 15' ' ' SER . 4.5 pp -100.0 -32.57 10.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 75.43 110.908 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.532 ' N ' ' HD2' ' A' ' 16' ' ' PRO . 0.1 OUTLIER -29.88 -57.78 0.3 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.667 0.746 . . . . 73.43 110.865 -179.898 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.532 ' HD2' ' N ' ' A' ' 15' ' ' SER . 53.9 Cg_endo -69.75 56.33 1.37 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.699 2.266 . . . . 61.32 112.337 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -140.03 -167.86 2.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 65.34 110.871 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -48.0 105.46 0.5 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.596 0.712 . . . . 73.12 110.901 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -2.02 9.48 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.699 2.266 . . . . 72.45 112.34 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.3 mtm180 -60.56 -68.22 0.32 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 73.23 110.846 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -86.4 -13.41 46.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 75.12 110.866 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -49.54 -24.66 2.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 65.33 110.861 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 73.2 mtt180 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.478 . . . . 74.33 110.879 -179.95 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.481 -0.248 . . . . 74.43 112.481 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 47.5 t -91.45 -13.35 8.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.933 0.397 . . . . 61.13 111.146 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.0 t -57.14 -15.97 6.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 71.53 111.154 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.4 pttt -50.59 -41.05 54.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 73.12 110.909 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -83.79 -21.06 32.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 74.24 110.896 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -83.35 -18.59 38.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 70.23 110.836 -179.772 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.503 ' O ' ' C ' ' A' ' 15' ' ' SER . 4.1 pp -100.18 -30.55 11.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 73.43 110.909 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.529 ' N ' ' HD2' ' A' ' 16' ' ' PRO . 0.0 OUTLIER -30.13 -57.68 0.31 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.702 0.763 . . . . 61.54 110.936 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.529 ' HD2' ' N ' ' A' ' 15' ' ' SER . 54.0 Cg_endo -69.73 55.29 1.25 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.64 2.227 . . . . 73.13 112.409 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -137.28 -167.52 2.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 74.31 110.865 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 9.6 mtp180 -47.26 105.11 0.45 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.629 0.728 . . . . 74.43 110.908 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -1.1 7.86 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.688 2.259 . . . . 74.14 112.354 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.463 ' HG3' ' N ' ' A' ' 21' ' ' HIS . 0.3 OUTLIER -61.55 -66.36 0.55 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 63.3 110.873 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.463 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -88.6 -13.43 39.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 55.42 110.908 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -48.87 -24.91 1.63 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 74.52 110.868 -179.799 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 56.1 mtt180 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 75.53 110.891 -179.967 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.475 -0.25 . . . . 74.15 112.475 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 47.3 t -91.53 -13.46 8.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.859 0.361 . . . . 75.21 111.104 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.5 t -60.57 -13.37 13.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 74.33 111.163 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.1 -41.23 48.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 75.42 110.878 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.53 -20.1 32.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 74.3 110.883 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.8 t -83.86 -18.3 37.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 73.21 110.903 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.479 ' O ' ' C ' ' A' ' 15' ' ' SER . 4.3 pp -99.73 -30.46 12.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.087 -0.506 . . . . 75.02 110.907 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.534 ' N ' ' HD2' ' A' ' 16' ' ' PRO . 0.0 OUTLIER -29.95 -57.8 0.3 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.66 0.743 . . . . 75.21 110.839 -179.946 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.534 ' HD2' ' N ' ' A' ' 15' ' ' SER . 53.4 Cg_endo -69.82 55.24 1.28 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.691 2.26 . . . . 72.54 112.311 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -137.09 -167.39 2.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 75.01 110.892 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.6 mtt180 -47.44 105.17 0.46 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.637 0.732 . . . . 74.51 110.878 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 -1.69 8.89 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.667 2.245 . . . . 75.33 112.361 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.5 mtm180 -59.13 -68.61 0.26 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 73.21 110.817 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -86.36 -15.19 41.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 75.12 110.85 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.52 -22.34 0.72 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 73.24 110.867 -179.771 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.091 -0.504 . . . . 71.05 110.873 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.507 -0.237 . . . . 70.04 112.507 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 47.7 t -91.44 -13.29 8.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.89 0.376 . . . . 74.42 111.109 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.0 t -56.1 -16.88 5.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 71.51 111.128 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.26 -41.23 60.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 74.35 110.873 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.41 -18.81 37.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 74.2 110.801 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.8 t -86.18 -18.5 32.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 71.11 110.862 -179.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.509 ' O ' ' C ' ' A' ' 15' ' ' SER . 4.2 pp -100.05 -29.7 12.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.115 -0.493 . . . . 74.31 110.904 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.509 ' C ' ' O ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -29.56 -58.9 0.27 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.689 0.757 . . . . 75.02 110.881 -179.951 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.506 ' HD2' ' N ' ' A' ' 15' ' ' SER . 54.1 Cg_endo -69.75 56.07 1.34 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.687 2.258 . . . . 72.52 112.343 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -136.76 -168.24 2.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 73.51 110.848 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.8 mtm180 -47.47 105.28 0.47 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.632 0.73 . . . . 73.11 110.853 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -0.42 6.88 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.716 2.278 . . . . 75.51 112.39 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.8 ttm180 -61.37 -66.46 0.53 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 75.24 110.856 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -87.7 -14.47 39.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 75.0 110.867 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.2 -21.87 0.88 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 74.14 110.862 -179.784 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 89.2 mtt-85 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 74.21 110.811 -179.892 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.908 0.385 . . . . 73.24 110.898 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -100.03 -37.69 8.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.088 -0.506 . . . . 75.42 110.955 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -52.3 -19.92 2.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.079 -0.509 . . . . 74.44 110.804 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.07 -15.61 34.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 75.41 110.891 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.454 ' CD1' ' N ' ' A' ' 6' ' ' HIS . 1.0 OUTLIER -66.96 -35.69 80.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.488 . . . . 75.55 110.904 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.454 ' N ' ' CD1' ' A' ' 5' ' ' TRP . 0.2 OUTLIER -111.01 -38.19 5.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 72.11 110.836 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 21.7 mmm180 -71.84 -65.83 0.71 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 74.42 110.875 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -57.47 -20.23 36.91 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.742 -0.742 . . . . 73.42 112.488 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.401 ' CG2' ' O ' ' A' ' 5' ' ' TRP . 46.7 t -91.55 -13.4 8.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.883 0.373 . . . . 74.11 111.109 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.3 t -54.95 -18.74 5.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 75.45 111.152 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.8 tttt -55.6 -41.89 74.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 73.21 110.86 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -81.89 -21.49 37.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 74.25 110.891 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.5 t -85.13 -18.65 33.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 75.01 110.872 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.507 ' O ' ' C ' ' A' ' 15' ' ' SER . 4.5 pp -100.03 -32.03 11.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 74.04 110.945 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.508 ' N ' ' HD2' ' A' ' 16' ' ' PRO . 0.0 OUTLIER -29.26 -58.91 0.25 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.666 0.746 . . . . 74.12 110.86 -179.898 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.508 ' HD2' ' N ' ' A' ' 15' ' ' SER . 53.5 Cg_endo -69.81 57.46 1.5 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.632 2.221 . . . . 72.25 112.346 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -140.87 -169.18 2.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 73.12 110.816 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 30.9 mtt85 -48.49 105.67 0.53 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.627 0.727 . . . . 71.24 110.868 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -1.38 8.35 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.726 2.284 . . . . 73.44 112.35 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.07 -66.06 0.6 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 73.32 110.899 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -87.63 -13.08 43.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 74.55 110.861 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -50.1 -24.42 2.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 73.1 110.845 -179.745 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 79.9 mtm180 -71.08 -28.38 64.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 74.22 110.857 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -98.65 -13.87 20.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 74.51 110.918 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -89.4 -38.83 13.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 70.43 110.879 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 73.44 110.833 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 1.4 t80 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.927 0.394 . . . . 74.42 110.943 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -99.97 -37.8 8.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.07 -0.513 . . . . 75.34 110.927 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 3.9 p-80 -50.96 -23.35 2.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 74.45 110.86 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -58.76 -16.11 15.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 73.35 110.877 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.463 ' CD1' ' N ' ' A' ' 6' ' ' HIS . 1.0 OUTLIER -66.61 -35.46 80.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 73.31 110.908 -179.946 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.463 ' N ' ' CD1' ' A' ' 5' ' ' TRP . 0.2 OUTLIER -111.51 -38.74 4.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 73.33 110.875 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.3 mmt180 -71.39 -65.67 0.72 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 74.3 110.849 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -57.39 -19.87 34.93 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.735 -0.745 . . . . 74.44 112.493 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.403 ' CG2' ' O ' ' A' ' 5' ' ' TRP . 46.9 t -91.44 -13.22 9.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.898 0.38 . . . . 74.11 111.13 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.7 t -51.82 -21.44 2.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 72.23 111.162 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.37 -40.66 62.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 71.43 110.884 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.27 -23.3 35.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 75.22 110.823 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -82.22 -18.99 40.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 43.22 110.852 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.495 ' O ' ' C ' ' A' ' 15' ' ' SER . 4.2 pp -100.76 -30.4 11.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.103 -0.499 . . . . 72.21 110.88 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.512 ' N ' ' HD2' ' A' ' 16' ' ' PRO . 0.7 OUTLIER -29.8 -58.66 0.28 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.688 0.756 . . . . 75.23 110.852 -179.939 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.512 ' HD2' ' N ' ' A' ' 15' ' ' SER . 53.5 Cg_endo -69.77 56.55 1.4 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.666 2.244 . . . . 73.12 112.321 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -138.34 -167.93 2.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 62.52 110.884 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.1 mtt180 -47.67 105.5 0.5 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.636 0.731 . . . . 70.34 110.867 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -1.85 9.21 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.708 2.272 . . . . 74.11 112.323 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.1 mtm180 -60.63 -68.2 0.32 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 72.41 110.858 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -86.47 -13.63 45.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 72.35 110.863 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -48.81 -25.06 1.66 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 74.24 110.844 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.34 -30.38 71.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 71.32 110.843 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -97.9 -13.36 21.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.449 . . . . 74.24 110.92 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -91.23 -35.51 14.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 73.52 110.918 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 74.32 110.892 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 40.9 p90 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.891 0.377 . . . . 72.12 110.922 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -100.02 -37.77 8.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 75.51 110.899 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 3.8 p-80 -50.94 -23.37 2.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 73.03 110.88 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -58.85 -16.03 15.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 70.2 110.86 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.456 ' CD1' ' N ' ' A' ' 6' ' ' HIS . 1.0 OUTLIER -66.61 -35.54 80.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.161 -0.472 . . . . 74.45 110.922 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.456 ' N ' ' CD1' ' A' ' 5' ' ' TRP . 0.4 OUTLIER -111.36 -38.79 4.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.439 . . . . 63.54 110.849 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.2 mmt85 -71.43 -65.64 0.73 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 74.21 110.929 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -57.34 -20.07 35.36 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.783 -0.723 . . . . 42.12 112.467 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.404 ' CG2' ' O ' ' A' ' 5' ' ' TRP . 47.4 t -91.45 -13.51 8.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.916 0.389 . . . . 74.55 111.136 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.5 t -60.27 -13.5 13.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 75.44 111.128 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.41 -41.72 60.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 73.43 110.864 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -84.0 -16.15 45.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 73.2 110.883 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.7 t -89.68 -17.62 28.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 72.45 110.831 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.495 ' O ' ' C ' ' A' ' 15' ' ' SER . 4.5 pp -99.04 -32.77 11.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 74.21 110.928 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.517 ' N ' ' HD2' ' A' ' 16' ' ' PRO . 0.0 OUTLIER -29.78 -58.53 0.28 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.64 0.733 . . . . 62.24 110.863 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' A' ' 15' ' ' SER . 53.3 Cg_endo -69.76 57.09 1.45 Allowed 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.752 2.301 . . . . 72.54 112.354 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -140.37 -168.67 2.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.2 -0.454 . . . . 75.14 110.877 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.5 mtm180 -48.17 105.72 0.53 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.567 0.699 . . . . 75.02 110.873 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.74 -1.97 9.35 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.693 2.262 . . . . 73.23 112.323 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.2 mtp180 -60.15 -68.14 0.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 75.1 110.885 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -86.36 -13.69 45.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 74.22 110.839 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -49.54 -24.64 2.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 75.03 110.869 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 77.6 mtm180 -68.59 -29.13 67.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 74.31 110.885 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -98.11 -13.91 20.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 73.55 110.887 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -90.22 -36.92 14.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 74.22 110.905 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 75.14 110.867 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.903 0.382 . . . . 75.44 110.912 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -99.98 -38.21 8.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 74.11 110.867 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 27.2 p80 -50.67 -23.68 2.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 71.11 110.903 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 33.0 m-85 -58.44 -16.26 14.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 75.15 110.882 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.465 ' CD1' ' N ' ' A' ' 6' ' ' HIS . 1.0 OUTLIER -66.59 -35.53 80.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.114 -0.493 . . . . 74.21 110.904 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.465 ' N ' ' CD1' ' A' ' 5' ' ' TRP . 0.1 OUTLIER -111.55 -38.74 4.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.226 -0.443 . . . . 72.21 110.837 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.4 mmt180 -71.15 -65.7 0.71 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 74.31 110.883 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -57.52 -19.88 35.93 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.73 -0.747 . . . . 75.2 112.501 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 47.2 t -91.5 -13.43 8.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.906 0.384 . . . . 73.12 111.132 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.7 t -59.25 -14.27 10.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 74.21 111.167 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.7 pttt -51.17 -41.39 60.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 70.43 110.913 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -83.73 -18.62 37.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 75.13 110.877 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.37 -18.13 32.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 71.54 110.853 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.494 ' O ' ' C ' ' A' ' 15' ' ' SER . 4.5 pp -99.69 -31.56 11.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 64.22 110.897 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.511 ' N ' ' HD2' ' A' ' 16' ' ' PRO . 0.0 OUTLIER -29.58 -59.01 0.27 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.632 0.73 . . . . 61.54 110.817 -179.896 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.511 ' HD2' ' N ' ' A' ' 15' ' ' SER . 53.2 Cg_endo -69.79 57.23 1.47 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.706 2.271 . . . . 74.24 112.282 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -139.97 -168.66 2.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.448 . . . . 75.32 110.835 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 9.9 mtt180 -48.18 105.66 0.52 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.621 0.724 . . . . 72.54 110.917 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 -1.95 9.31 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.693 2.262 . . . . 73.32 112.38 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -60.49 -67.99 0.34 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 73.55 110.908 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -86.42 -13.51 46.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 74.31 110.843 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -49.47 -24.76 2.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 71.15 110.857 -179.781 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 18.7 mtm180 -68.48 -29.24 67.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.092 -0.503 . . . . 75.41 110.891 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -98.25 -13.34 20.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 75.52 110.924 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -91.28 -35.78 14.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 73.44 110.919 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 75.24 110.9 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.92 0.39 . . . . 74.02 110.872 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -100.07 -37.86 8.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.111 -0.495 . . . . 72.14 110.934 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -50.96 -23.29 2.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.117 -0.492 . . . . 70.24 110.832 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.91 -16.05 15.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 75.32 110.882 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.456 ' CD1' ' N ' ' A' ' 6' ' ' HIS . 1.0 OUTLIER -66.65 -35.37 80.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 75.42 110.88 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.456 ' N ' ' CD1' ' A' ' 5' ' ' TRP . 6.1 t-160 -111.44 -38.98 4.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.271 -0.422 . . . . 73.14 110.808 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -71.35 -65.52 0.74 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 63.11 110.939 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -57.37 -19.86 34.73 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.732 -0.747 . . . . 74.4 112.457 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.403 ' CG2' ' O ' ' A' ' 5' ' ' TRP . 47.8 t -91.42 -13.65 8.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.926 0.393 . . . . 75.14 111.13 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.7 t -54.18 -19.67 5.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 71.31 111.117 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.9 -41.49 67.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 74.54 110.92 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -81.93 -22.65 36.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 74.23 110.89 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.9 t -83.15 -19.15 37.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 75.42 110.876 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.51 ' O ' ' C ' ' A' ' 15' ' ' SER . 4.3 pp -100.4 -29.96 12.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 73.45 110.928 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.51 ' C ' ' O ' ' A' ' 14' ' ' LEU . 0.7 OUTLIER -29.53 -58.69 0.27 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.669 0.747 . . . . 73.52 110.82 -179.913 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.507 ' HD2' ' N ' ' A' ' 15' ' ' SER . 53.3 Cg_endo -69.8 56.25 1.38 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.636 2.224 . . . . 71.13 112.353 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -137.74 -167.89 2.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 72.33 110.85 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.67 105.41 0.49 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.606 0.717 . . . . 74.12 110.857 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -1.45 8.5 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.665 2.244 . . . . 71.4 112.361 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.3 mtt180 -59.31 -68.46 0.27 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 74.11 110.86 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.5 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 0.4 OUTLIER -86.28 -15.19 41.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 65.02 110.886 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.64 -22.28 0.74 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 71.41 110.878 -179.774 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.3 mmm-85 -62.87 -32.21 73.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 74.51 110.856 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.5 ' HG ' ' O ' ' A' ' 21' ' ' HIS . 3.0 pp -98.96 -12.14 20.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.177 -0.465 . . . . 73.0 110.891 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -89.27 -39.03 13.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 75.05 110.906 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 73.43 110.834 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 43.7 p90 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.925 0.393 . . . . 75.24 110.897 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -99.86 -38.74 8.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 74.33 110.927 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -51.99 -20.04 2.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.09 -0.505 . . . . 75.24 110.871 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.11 -15.57 34.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 71.23 110.89 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.456 ' CD1' ' N ' ' A' ' 6' ' ' HIS . 1.0 OUTLIER -66.89 -35.93 81.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.12 -0.491 . . . . 75.4 110.91 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.456 ' N ' ' CD1' ' A' ' 5' ' ' TRP . 3.0 t60 -110.85 -37.9 5.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 71.34 110.84 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 6.1 mmt180 -71.86 -65.97 0.7 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 74.42 110.875 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -57.52 -20.64 38.94 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.753 -0.737 . . . . 73.14 112.47 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.401 ' CG2' ' O ' ' A' ' 5' ' ' TRP . 46.6 t -91.26 -13.32 9.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.893 0.378 . . . . 71.01 111.152 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.7 t -56.59 -16.61 6.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 75.52 111.128 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.79 -40.85 56.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 75.54 110.867 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.83 -20.77 32.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 71.54 110.832 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.1 t -83.59 -18.61 37.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.429 . . . . 73.22 110.845 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.486 ' O ' ' C ' ' A' ' 15' ' ' SER . 4.2 pp -100.02 -30.53 11.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 72.21 110.953 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.528 ' N ' ' HD2' ' A' ' 16' ' ' PRO . 0.0 OUTLIER -30.39 -57.63 0.32 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.639 0.733 . . . . 73.32 110.834 -179.905 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.528 ' HD2' ' N ' ' A' ' 15' ' ' SER . 53.5 Cg_endo -69.8 55.44 1.29 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.707 2.272 . . . . 73.23 112.323 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -137.37 -167.25 2.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 73.33 110.864 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.34 105.25 0.47 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.576 0.703 . . . . 75.01 110.879 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -1.75 8.97 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.74 2.294 . . . . 65.53 112.332 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.4 mtm180 -60.24 -68.59 0.28 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 74.41 110.9 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -86.52 -14.07 44.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 75.22 110.855 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.17 -25.19 1.39 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.26 -0.427 . . . . 72.24 110.854 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -62.61 -32.08 73.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 74.33 110.84 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -96.31 -13.54 23.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 73.22 110.924 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -89.11 -36.43 15.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 63.51 110.913 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 74.4 110.886 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 19.0 p90 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.887 0.375 . . . . 72.34 110.952 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -100.01 -37.99 8.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.12 -0.491 . . . . 73.34 110.909 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -52.26 -19.88 2.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 71.11 110.86 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -61.0 -15.67 34.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 74.33 110.884 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.455 ' CD1' ' N ' ' A' ' 6' ' ' HIS . 1.0 OUTLIER -66.92 -35.74 80.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.126 -0.488 . . . . 73.14 110.91 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.455 ' N ' ' CD1' ' A' ' 5' ' ' TRP . 0.2 OUTLIER -110.94 -38.14 5.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 65.23 110.854 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.4 mmp_? -71.72 -65.99 0.69 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 73.31 110.898 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -57.42 -20.41 37.26 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.762 -0.732 . . . . 72.04 112.471 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.402 ' CG2' ' O ' ' A' ' 5' ' ' TRP . 46.4 t -91.44 -13.47 8.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.916 0.388 . . . . 65.2 111.154 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.1 t -55.04 -18.72 5.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 74.01 111.168 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.47 -41.71 69.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 75.35 110.858 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -82.19 -20.86 36.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.287 -0.415 . . . . 74.3 110.872 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -85.52 -18.59 33.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 62.14 110.849 -179.751 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.507 ' O ' ' C ' ' A' ' 15' ' ' SER . 4.2 pp -100.49 -30.07 12.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 74.12 110.969 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.508 ' N ' ' HD2' ' A' ' 16' ' ' PRO . 0.0 OUTLIER -29.31 -58.91 0.26 Allowed Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.707 0.765 . . . . 72.41 110.88 -179.92 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.508 ' HD2' ' N ' ' A' ' 15' ' ' SER . 53.4 Cg_endo -69.78 56.12 1.36 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.687 2.258 . . . . 65.11 112.351 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -137.11 -168.35 2.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 73.14 110.85 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -47.63 105.29 0.47 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.612 0.72 . . . . 75.21 110.88 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -0.39 6.85 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.67 2.246 . . . . 74.03 112.333 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.3 ttt180 -61.25 -66.46 0.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 65.21 110.877 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.501 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 0.4 OUTLIER -87.71 -14.45 39.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 75.14 110.879 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.28 -21.89 0.94 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 64.42 110.852 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -63.81 -32.11 73.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 74.01 110.845 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 21' ' ' HIS . 3.0 pp -99.29 -12.1 20.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 71.42 110.905 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -89.19 -38.8 14.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 73.13 110.913 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.7 ttm180 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 74.14 110.824 -179.886 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.905 0.384 . . . . 72.22 110.928 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -100.09 -37.73 8.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 75.33 110.951 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -52.23 -19.94 2.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 73.01 110.799 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -61.08 -15.64 35.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 73.31 110.831 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.458 ' CD1' ' N ' ' A' ' 6' ' ' HIS . 1.0 OUTLIER -66.88 -35.8 80.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.158 -0.474 . . . . 75.3 110.928 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.458 ' N ' ' CD1' ' A' ' 5' ' ' TRP . 1.0 OUTLIER -110.9 -38.15 5.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 74.41 110.887 179.937 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -71.75 -65.84 0.71 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 74.22 110.904 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -57.57 -20.21 37.6 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.755 -0.736 . . . . 64.33 112.461 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 46.6 t -91.65 -13.3 8.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.878 0.371 . . . . 73.24 111.124 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.6 t -59.05 -14.44 9.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 64.24 111.196 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.14 -41.27 59.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 71.03 110.924 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -83.87 -19.08 35.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 74.13 110.857 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -85.82 -18.16 33.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 71.21 110.864 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.491 ' O ' ' C ' ' A' ' 15' ' ' SER . 4.5 pp -99.67 -31.72 11.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.1 -0.5 . . . . 72.45 110.955 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.509 ' N ' ' HD2' ' A' ' 16' ' ' PRO . 0.0 OUTLIER -29.46 -58.89 0.26 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.632 0.73 . . . . 73.33 110.836 -179.916 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.509 ' HD2' ' N ' ' A' ' 15' ' ' SER . 53.2 Cg_endo -69.82 57.06 1.47 Allowed 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.697 2.264 . . . . 65.22 112.335 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -140.08 -169.12 2.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 74.12 110.859 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.4 mtp85 -48.38 105.55 0.51 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.556 0.693 . . . . 72.11 110.862 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -1.4 8.42 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.668 2.246 . . . . 64.23 112.337 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.455 ' HG3' ' N ' ' A' ' 21' ' ' HIS . 0.2 OUTLIER -61.76 -65.45 0.69 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 75.41 110.896 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.455 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -88.74 -13.0 40.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.145 -0.48 . . . . 74.33 110.852 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.1 t -49.88 -24.54 2.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 54.25 110.874 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 52.0 mtt180 -70.65 -28.63 64.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 73.25 110.858 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -98.54 -13.91 20.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 74.34 110.927 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -89.3 -38.53 14.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 72.5 110.9 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 74.32 110.887 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.964 0.411 . . . . 71.21 110.922 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -100.05 -37.8 8.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.087 -0.506 . . . . 74.31 110.919 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 3.8 p-80 -50.98 -23.35 2.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 74.22 110.847 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -58.85 -16.08 15.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 74.22 110.859 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.457 ' CD1' ' N ' ' A' ' 6' ' ' HIS . 1.0 OUTLIER -66.61 -35.44 80.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 74.42 110.921 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.457 ' N ' ' CD1' ' A' ' 5' ' ' TRP . 1.2 t60 -111.42 -38.92 4.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 64.13 110.871 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.37 -65.61 0.73 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 74.45 110.868 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -57.28 -20.01 34.71 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.721 -0.752 . . . . 74.52 112.515 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 46.8 t -91.44 -13.28 8.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.87 0.367 . . . . 72.42 111.122 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.5 t -52.01 -21.18 2.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 73.33 111.149 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.33 -40.6 59.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 74.2 110.912 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.2 -21.04 36.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 75.32 110.883 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -85.15 -18.45 34.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 60.32 110.889 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.513 ' O ' ' C ' ' A' ' 15' ' ' SER . 4.5 pp -100.4 -31.91 11.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.092 -0.504 . . . . 75.34 110.891 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.513 ' C ' ' O ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -29.32 -59.01 0.25 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.631 0.729 . . . . 74.43 110.822 -179.936 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.509 ' HD2' ' N ' ' A' ' 15' ' ' SER . 53.7 Cg_endo -69.76 57.17 1.46 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.703 2.269 . . . . 74.12 112.353 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -140.13 -169.01 2.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 75.25 110.783 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.4 mtt-85 -48.3 105.52 0.51 Allowed Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.586 0.708 . . . . 72.23 110.913 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -1.31 8.22 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.693 2.262 . . . . 72.24 112.374 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.476 ' HG3' ' N ' ' A' ' 21' ' ' HIS . 0.2 OUTLIER -61.77 -65.54 0.67 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 74.25 110.87 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.476 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -88.75 -12.96 40.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.458 . . . . 74.41 110.827 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -49.89 -24.64 2.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 71.35 110.842 -179.791 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.9 mtm180 -70.33 -28.76 65.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 72.44 110.905 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -98.51 -13.83 20.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 72.44 110.925 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -89.43 -38.59 13.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 75.14 110.862 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 72.11 110.86 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.877 0.37 . . . . 74.45 110.876 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -50.46 -40.26 50.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.113 -0.494 . . . . 75.11 110.934 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -49.9 -24.01 2.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 74.41 110.848 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -58.36 -16.34 14.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 73.4 110.9 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.466 ' CD1' ' N ' ' A' ' 6' ' ' HIS . 1.0 OUTLIER -66.49 -35.48 80.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 74.05 110.883 -179.925 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.466 ' N ' ' CD1' ' A' ' 5' ' ' TRP . 2.7 t-80 -111.21 -39.03 4.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 74.24 110.83 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -71.39 -65.57 0.73 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 73.2 110.895 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -57.41 -19.91 35.27 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.738 -0.744 . . . . 30.44 112.495 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.401 ' CG2' ' O ' ' A' ' 5' ' ' TRP . 47.3 t -91.5 -13.44 8.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.908 0.385 . . . . 73.5 111.141 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.6 t -59.35 -14.23 11.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 73.44 111.174 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.24 -41.36 60.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 74.03 110.898 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -83.68 -18.43 38.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 73.43 110.888 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.7 -18.05 32.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 61.34 110.848 -179.826 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.509 ' O ' ' C ' ' A' ' 15' ' ' SER . 4.5 pp -99.69 -31.59 11.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.135 -0.484 . . . . 71.54 110.927 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.509 ' C ' ' O ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -29.37 -58.94 0.26 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.634 0.731 . . . . 75.3 110.895 -179.927 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.505 ' HD2' ' N ' ' A' ' 15' ' ' SER . 53.6 Cg_endo -69.78 56.98 1.45 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.705 2.27 . . . . 74.21 112.341 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -139.63 -168.92 2.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 74.25 110.835 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.3 mtt180 -48.11 105.59 0.51 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.573 0.701 . . . . 72.21 110.851 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -1.2 8.1 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.656 2.237 . . . . 73.42 112.359 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.8 ttm180 -61.88 -66.19 0.58 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 73.43 110.888 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -87.63 -13.44 42.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 75.12 110.866 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -49.87 -24.44 2.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 74.31 110.824 -179.756 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.5 mtm180 -69.7 -28.88 66.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.481 . . . . 72.32 110.881 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -98.4 -13.93 20.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 75.1 110.883 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -90.26 -36.71 14.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 71.22 110.93 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 73.42 110.855 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.878 0.371 . . . . 74.32 110.93 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -99.92 -38.74 8.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 74.33 110.916 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -51.99 -20.09 2.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.49 . . . . 72.32 110.856 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.09 -15.61 34.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 71.45 110.877 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.457 ' CD1' ' N ' ' A' ' 6' ' ' HIS . 1.0 OUTLIER -66.96 -35.81 80.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.144 -0.48 . . . . 75.1 110.917 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.457 ' N ' ' CD1' ' A' ' 5' ' ' TRP . 2.3 t60 -111.01 -38.09 5.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 63.41 110.865 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.8 mmm180 -71.73 -65.89 0.7 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 75.31 110.906 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -57.47 -20.32 37.31 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.709 -0.758 . . . . 61.44 112.487 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 46.5 t -91.46 -13.38 8.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.909 0.385 . . . . 75.33 111.102 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.2 t -55.17 -18.61 6.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 73.11 111.165 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.16 -41.78 72.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 74.44 110.896 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -82.28 -21.32 36.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 75.42 110.918 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -85.18 -18.35 34.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 74.54 110.844 -179.785 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.489 ' O ' ' C ' ' A' ' 15' ' ' SER . 4.5 pp -100.24 -31.72 11.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 71.24 110.92 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.508 ' N ' ' HD2' ' A' ' 16' ' ' PRO . 0.0 OUTLIER -29.29 -58.99 0.25 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.692 0.758 . . . . 61.34 110.835 -179.895 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.508 ' HD2' ' N ' ' A' ' 15' ' ' SER . 54.0 Cg_endo -69.8 56.99 1.46 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.674 2.25 . . . . 74.22 112.312 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -139.56 -168.84 2.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 75.51 110.833 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 9.9 mmm180 -48.07 105.55 0.51 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.603 0.716 . . . . 74.03 110.893 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -1.18 8.03 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.684 2.256 . . . . 63.01 112.347 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.46 ' HG3' ' N ' ' A' ' 21' ' ' HIS . 0.0 OUTLIER -61.56 -65.71 0.65 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 74.14 110.871 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.46 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -88.65 -13.35 40.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 73.41 110.86 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -49.72 -24.62 2.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 62.42 110.877 -179.758 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 13.0 mtt-85 -69.6 -28.9 66.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.114 -0.494 . . . . 74.51 110.82 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -98.36 -13.38 20.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 74.41 110.899 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -91.21 -35.85 14.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 74.15 110.908 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 75.41 110.917 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 81.2 t80 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.892 0.377 . . . . 75.34 110.921 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -99.77 -37.7 8.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.096 -0.502 . . . . 74.14 110.938 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 3.6 p-80 -50.92 -23.29 2.75 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.129 -0.487 . . . . 74.24 110.865 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -58.77 -16.25 15.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 73.42 110.896 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.466 ' CD1' ' N ' ' A' ' 6' ' ' HIS . 1.0 OUTLIER -66.38 -35.55 80.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 73.22 110.943 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.466 ' N ' ' CD1' ' A' ' 5' ' ' TRP . 59.0 t-80 -111.26 -38.93 4.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.456 . . . . 71.41 110.885 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.22 -65.74 0.71 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 74.52 110.833 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -57.42 -19.91 35.33 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.722 -0.752 . . . . 74.13 112.521 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.408 ' CG2' ' O ' ' A' ' 5' ' ' TRP . 47.6 t -91.41 -13.23 9.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.932 0.396 . . . . 71.45 111.152 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.7 t -58.14 -15.48 9.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 74.22 111.124 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.09 -41.32 59.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 73.12 110.867 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.96 -18.52 36.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 75.25 110.874 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 10.2 t -86.19 -18.26 32.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 64.51 110.862 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.505 ' O ' ' C ' ' A' ' 15' ' ' SER . 4.2 pp -99.87 -29.88 12.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 74.43 110.898 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.505 ' C ' ' O ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -29.8 -58.79 0.28 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.611 0.72 . . . . 74.55 110.862 -179.918 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.505 ' HD2' ' N ' ' A' ' 15' ' ' SER . 53.8 Cg_endo -69.82 56.3 1.39 Allowed 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.681 2.254 . . . . 74.43 112.338 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -137.13 -167.95 2.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.433 . . . . 72.13 110.874 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.2 mtm180 -47.62 105.52 0.5 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.632 0.729 . . . . 72.01 110.832 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -1.52 8.6 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.716 2.277 . . . . 75.3 112.301 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -59.34 -68.31 0.29 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 74.13 110.84 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.501 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 0.4 OUTLIER -86.52 -15.11 41.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 70.1 110.852 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.52 -22.3 0.71 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.443 . . . . 70.41 110.825 -179.766 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.1 mtm180 -62.13 -32.3 72.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 73.01 110.901 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 21' ' ' HIS . 3.0 pp -98.7 -12.09 21.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 74.43 110.924 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -89.59 -36.9 15.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 72.23 110.9 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 74.54 110.891 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.871 0.367 . . . . 75.45 110.923 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -100.01 -37.84 8.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.123 -0.49 . . . . 75.41 110.912 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 3.9 p-80 -50.88 -23.33 2.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 74.22 110.89 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -58.75 -16.16 15.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 75.41 110.88 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.461 ' CD1' ' N ' ' A' ' 6' ' ' HIS . 1.0 OUTLIER -66.57 -35.57 80.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 74.43 110.934 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.461 ' N ' ' CD1' ' A' ' 5' ' ' TRP . 0.2 OUTLIER -111.3 -38.69 4.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 73.41 110.881 179.938 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.38 -65.73 0.71 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 74.21 110.868 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -57.42 -20.24 36.62 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.711 -0.756 . . . . 54.11 112.49 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.402 ' CG2' ' O ' ' A' ' 5' ' ' TRP . 46.9 t -91.31 -13.36 9.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.849 0.357 . . . . 71.42 111.113 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.9 t -52.28 -19.72 2.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 74.41 111.116 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.84 -40.79 61.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 74.32 110.908 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -83.21 -17.02 44.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 73.42 110.86 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -89.73 -18.01 27.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 71.11 110.876 -179.803 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.496 ' O ' ' C ' ' A' ' 15' ' ' SER . 4.4 pp -99.58 -30.92 11.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.104 -0.498 . . . . 74.31 110.909 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.517 ' N ' ' HD2' ' A' ' 16' ' ' PRO . 0.0 OUTLIER -30.03 -58.43 0.29 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.668 0.747 . . . . 62.41 110.85 -179.934 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' A' ' 15' ' ' SER . 53.9 Cg_endo -69.72 56.03 1.32 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.628 2.219 . . . . 75.05 112.361 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -137.14 -167.88 2.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.238 -0.437 . . . . 75.35 110.867 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.9 mtm180 -47.46 105.46 0.49 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.613 0.72 . . . . 75.54 110.859 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -1.43 8.44 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.705 2.27 . . . . 64.2 112.323 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.1 mtt-85 -59.08 -68.45 0.27 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 75.21 110.906 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.493 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 0.4 OUTLIER -86.37 -15.48 40.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 73.52 110.848 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.29 -22.36 0.66 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 71.24 110.852 -179.757 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.8 mtt85 -61.4 -32.37 72.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 75.3 110.849 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 21' ' ' HIS . 3.0 pp -98.27 -11.96 22.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 70.04 110.931 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -89.41 -36.81 15.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 73.44 110.916 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 73.21 110.842 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.963 0.411 . . . . 65.24 110.902 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -100.03 -37.77 8.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.104 -0.498 . . . . 71.22 110.904 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -50.93 -23.34 2.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 73.44 110.831 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -58.9 -16.07 15.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 75.23 110.875 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.462 ' CD1' ' N ' ' A' ' 6' ' ' HIS . 1.0 OUTLIER -66.54 -35.48 80.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.147 -0.479 . . . . 75.14 110.985 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.462 ' N ' ' CD1' ' A' ' 5' ' ' TRP . 4.5 m170 -111.37 -38.83 4.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 71.3 110.881 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.2 mmt-85 -71.47 -65.56 0.74 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.444 . . . . 73.03 110.906 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -57.39 -19.96 35.31 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.732 -0.747 . . . . 74.23 112.467 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 47.5 t -91.51 -13.39 8.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.88 0.371 . . . . 73.41 111.119 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.6 t -59.4 -14.18 11.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 72.34 111.113 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.28 -41.39 60.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 73.3 110.914 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -83.67 -18.64 37.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 75.35 110.888 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.27 -18.27 32.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 74.53 110.902 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.5 ' O ' ' C ' ' A' ' 15' ' ' SER . 4.3 pp -99.98 -29.76 12.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 75.52 110.894 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.512 ' N ' ' HD2' ' A' ' 16' ' ' PRO . 0.0 OUTLIER -29.66 -58.96 0.27 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.644 0.735 . . . . 75.41 110.842 -179.907 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.512 ' HD2' ' N ' ' A' ' 15' ' ' SER . 53.7 Cg_endo -69.78 56.34 1.38 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.654 2.236 . . . . 72.45 112.364 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -137.22 -167.98 2.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.184 -0.462 . . . . 72.12 110.891 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.8 mtp180 -47.66 105.47 0.49 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.642 0.734 . . . . 74.23 110.874 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -1.29 8.27 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.664 2.243 . . . . 74.4 112.329 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.1 mtp85 -59.21 -68.42 0.28 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 73.12 110.866 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.495 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 0.4 OUTLIER -86.48 -15.35 40.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 73.42 110.805 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.14 -22.55 0.65 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 70.12 110.834 -179.774 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.49 -33.46 73.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 64.3 110.836 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 21' ' ' HIS . 3.1 pp -97.76 -11.89 22.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.259 -0.428 . . . . 60.41 110.913 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -89.4 -36.76 15.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 73.45 110.872 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 74.4 110.893 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 44.4 m-85 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.886 0.374 . . . . 75.13 110.923 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -100.08 -37.68 8.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.109 -0.496 . . . . 61.32 110.89 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -52.29 -19.86 2.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 74.43 110.864 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.01 -15.7 34.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 73.22 110.904 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.457 ' CD1' ' N ' ' A' ' 6' ' ' HIS . 1.0 OUTLIER -66.92 -35.72 80.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.482 . . . . 74.42 110.928 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.457 ' N ' ' CD1' ' A' ' 5' ' ' TRP . 0.2 OUTLIER -110.92 -38.23 5.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 72.51 110.847 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 8.8 mmm180 -71.77 -65.87 0.71 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 73.42 110.855 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -57.52 -20.18 37.12 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.688 -0.768 . . . . 74.24 112.474 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 46.8 t -91.51 -13.45 8.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.925 0.393 . . . . 72.04 111.101 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.2 t -55.0 -18.75 5.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 74.1 111.154 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.64 -41.72 70.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 72.24 110.942 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -82.25 -21.13 36.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 73.01 110.899 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -85.2 -18.45 34.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 54.03 110.882 -179.82 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.513 ' O ' ' C ' ' A' ' 15' ' ' SER . 4.4 pp -100.27 -31.17 11.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 75.31 110.926 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.513 ' C ' ' O ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -28.4 -58.94 0.23 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.683 0.754 . . . . 74.41 110.876 -179.942 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.508 ' HD2' ' N ' ' A' ' 15' ' ' SER . 53.8 Cg_endo -69.74 58.28 1.54 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.689 2.259 . . . . 72.03 112.316 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -142.87 -168.97 2.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.434 . . . . 75.32 110.852 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.26 106.1 0.57 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.557 0.694 . . . . 75.25 110.905 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -0.87 7.56 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.705 2.27 . . . . 73.23 112.338 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.461 ' HG3' ' N ' ' A' ' 21' ' ' HIS . 0.2 OUTLIER -61.57 -65.06 0.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 71.54 110.881 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.461 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -89.07 -12.66 40.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 75.13 110.879 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -52.54 -21.07 3.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 62.25 110.896 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.9 mtt180 -78.02 -27.9 49.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.084 -0.507 . . . . 74.53 110.89 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' A' ' 21' ' ' HIS . 3.3 pp -101.99 -12.01 18.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.479 . . . . 65.12 110.955 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -90.38 -37.19 14.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 71.51 110.937 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 72.42 110.868 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.885 0.374 . . . . 74.51 110.888 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -100.07 -38.01 8.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.106 -0.497 . . . . 75.13 110.887 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -52.25 -19.87 2.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 73.34 110.862 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.04 -15.62 34.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 75.55 110.922 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.455 ' CD1' ' N ' ' A' ' 6' ' ' HIS . 1.0 OUTLIER -66.99 -35.75 80.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.109 -0.496 . . . . 74.53 110.91 -179.922 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.455 ' N ' ' CD1' ' A' ' 5' ' ' TRP . 6.2 m170 -110.96 -38.14 5.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 74.43 110.876 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 22.7 mmm180 -71.76 -65.89 0.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 73.23 110.91 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -57.51 -20.38 37.8 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.711 -0.757 . . . . 75.51 112.461 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.401 ' CG2' ' O ' ' A' ' 5' ' ' TRP . 46.3 t -91.45 -13.43 8.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.929 0.395 . . . . 74.03 111.12 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.9 t -55.9 -17.87 7.57 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.198 -0.456 . . . . 73.51 111.141 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.34 -41.7 72.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 65.31 110.916 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -82.83 -19.26 37.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 72.13 110.903 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -88.24 -18.04 29.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 71.42 110.82 -179.812 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.499 ' O ' ' C ' ' A' ' 15' ' ' SER . 4.3 pp -99.7 -30.72 11.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.18 -0.464 . . . . 62.42 110.941 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.521 ' N ' ' HD2' ' A' ' 16' ' ' PRO . 0.1 OUTLIER -29.8 -58.22 0.29 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.664 0.745 . . . . 73.01 110.85 -179.906 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.521 ' HD2' ' N ' ' A' ' 15' ' ' SER . 54.0 Cg_endo -69.76 55.88 1.32 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.679 2.253 . . . . 74.45 112.348 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -137.12 -168.35 2.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 74.01 110.818 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 37.7 mtt180 -47.5 105.29 0.47 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.588 0.708 . . . . 72.42 110.863 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 -0.34 6.74 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.701 2.268 . . . . 72.45 112.372 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.24 -66.45 0.53 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 74.45 110.842 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.497 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 0.4 OUTLIER -87.74 -14.58 39.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 72.24 110.847 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.2 -21.9 0.89 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 51.33 110.825 -179.761 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.5 mmt85 -63.7 -32.09 73.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 75.42 110.878 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.497 ' HG ' ' O ' ' A' ' 21' ' ' HIS . 3.0 pp -99.29 -11.63 21.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 72.15 110.909 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -91.16 -35.98 14.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 74.3 110.882 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 74.31 110.831 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.887 0.375 . . . . 74.43 110.915 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -100.03 -37.23 9.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.111 -0.495 . . . . 72.33 110.927 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -51.73 -20.71 2.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 75.32 110.852 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.407 ' HA ' ' HG3' ' A' ' 7' ' ' ARG . 3.4 m-85 -60.45 -14.15 17.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 74.24 110.909 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.457 ' CD1' ' N ' ' A' ' 6' ' ' HIS . 1.0 OUTLIER -69.29 -35.71 76.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.127 -0.488 . . . . 75.25 110.876 -179.917 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.457 ' N ' ' CD1' ' A' ' 5' ' ' TRP . 0.0 OUTLIER -112.07 -35.52 5.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 71.32 110.844 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.407 ' HG3' ' HA ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -89.65 -32.6 16.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 73.14 110.904 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.406 ' N ' ' HG3' ' A' ' 7' ' ' ARG . . . -89.32 -15.55 58.61 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.742 -0.742 . . . . 74.02 112.495 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.418 ' CG2' ' O ' ' A' ' 5' ' ' TRP . 76.4 t -91.1 -20.44 6.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.927 0.394 . . . . 72.11 111.156 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 14.7 t -57.82 -17.1 13.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 74.03 111.108 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.05 -42.32 76.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 72.44 110.94 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.6 ptm180 -82.21 -20.32 37.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 74.31 110.861 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -85.98 -18.39 32.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 63.13 110.875 -179.776 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.491 ' O ' ' C ' ' A' ' 15' ' ' SER . 4.5 pp -100.0 -32.57 10.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 75.43 110.908 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.532 ' N ' ' HD2' ' A' ' 16' ' ' PRO . 0.1 OUTLIER -29.88 -57.78 0.3 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.667 0.746 . . . . 73.43 110.865 -179.898 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.532 ' HD2' ' N ' ' A' ' 15' ' ' SER . 53.9 Cg_endo -69.75 56.33 1.37 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.699 2.266 . . . . 61.32 112.337 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -140.03 -167.86 2.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 65.34 110.871 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -48.0 105.46 0.5 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.596 0.712 . . . . 73.12 110.901 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -2.02 9.48 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.699 2.266 . . . . 72.45 112.34 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.3 mtm180 -60.56 -68.22 0.32 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 73.23 110.846 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -86.4 -13.41 46.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 75.12 110.866 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -49.54 -24.66 2.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 65.33 110.861 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 73.2 mtt180 -68.77 -29.18 67.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.478 . . . . 74.33 110.879 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -98.16 -13.92 20.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 73.25 110.913 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -90.31 -36.75 14.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 64.23 110.913 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 73.21 110.848 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.935 0.397 . . . . 73.34 110.959 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -100.0 -37.86 8.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.116 -0.493 . . . . 74.35 110.905 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 3.8 p-80 -50.93 -23.35 2.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.101 -0.5 . . . . 74.14 110.859 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 23.4 t80 -58.87 -16.04 15.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 75.43 110.909 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.464 ' CD1' ' N ' ' A' ' 6' ' ' HIS . 1.0 OUTLIER -66.61 -35.42 80.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.08 -0.509 . . . . 74.32 110.954 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.464 ' N ' ' CD1' ' A' ' 5' ' ' TRP . 22.7 t60 -111.45 -38.86 4.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.438 . . . . 71.14 110.865 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.47 -65.57 0.74 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.43 . . . . 74.23 110.871 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -57.36 -19.85 34.63 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.742 -0.742 . . . . 74.43 112.481 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 47.5 t -91.45 -13.35 8.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.933 0.397 . . . . 61.13 111.146 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.0 t -57.14 -15.97 6.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 71.53 111.154 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.4 pttt -50.59 -41.05 54.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 73.12 110.909 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -83.79 -21.06 32.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 74.24 110.896 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -83.35 -18.59 38.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 70.23 110.836 -179.772 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.503 ' O ' ' C ' ' A' ' 15' ' ' SER . 4.1 pp -100.18 -30.55 11.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 73.43 110.909 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.529 ' N ' ' HD2' ' A' ' 16' ' ' PRO . 0.0 OUTLIER -30.13 -57.68 0.31 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.702 0.763 . . . . 61.54 110.936 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.529 ' HD2' ' N ' ' A' ' 15' ' ' SER . 54.0 Cg_endo -69.73 55.29 1.25 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.64 2.227 . . . . 73.13 112.409 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -137.28 -167.52 2.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 74.31 110.865 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 9.6 mtp180 -47.26 105.11 0.45 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.629 0.728 . . . . 74.43 110.908 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -1.1 7.86 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.688 2.259 . . . . 74.14 112.354 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.463 ' HG3' ' N ' ' A' ' 21' ' ' HIS . 0.3 OUTLIER -61.55 -66.36 0.55 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 63.3 110.873 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.463 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -88.6 -13.43 39.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 55.42 110.908 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -48.87 -24.91 1.63 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 74.52 110.868 -179.799 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 56.1 mtt180 -64.83 -30.5 71.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 75.53 110.891 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -97.79 -13.58 21.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 72.43 110.921 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -89.39 -38.2 14.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 74.55 110.897 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 73.25 110.858 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.925 0.393 . . . . 75.33 110.894 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -100.06 -37.87 8.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 75.13 110.93 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -50.95 -23.25 2.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.054 -0.521 . . . . 72.45 110.888 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -58.93 -16.06 15.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 74.24 110.876 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.464 ' CD1' ' N ' ' A' ' 6' ' ' HIS . 1.0 OUTLIER -66.66 -35.44 80.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 74.34 110.915 -179.94 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.464 ' N ' ' CD1' ' A' ' 5' ' ' TRP . 14.9 t60 -111.31 -38.79 4.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.281 -0.418 . . . . 74.54 110.899 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -71.48 -65.66 0.73 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 74.44 110.892 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -57.39 -19.97 35.34 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.727 -0.749 . . . . 74.15 112.475 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 47.3 t -91.53 -13.46 8.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.859 0.361 . . . . 75.21 111.104 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.5 t -60.57 -13.37 13.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 74.33 111.163 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.1 -41.23 48.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 75.42 110.878 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.53 -20.1 32.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 74.3 110.883 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.8 t -83.86 -18.3 37.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 73.21 110.903 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.479 ' O ' ' C ' ' A' ' 15' ' ' SER . 4.3 pp -99.73 -30.46 12.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.087 -0.506 . . . . 75.02 110.907 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.534 ' N ' ' HD2' ' A' ' 16' ' ' PRO . 0.0 OUTLIER -29.95 -57.8 0.3 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.66 0.743 . . . . 75.21 110.839 -179.946 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.534 ' HD2' ' N ' ' A' ' 15' ' ' SER . 53.4 Cg_endo -69.82 55.24 1.28 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.691 2.26 . . . . 72.54 112.311 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -137.09 -167.39 2.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 75.01 110.892 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.6 mtt180 -47.44 105.17 0.46 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.637 0.732 . . . . 74.51 110.878 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 -1.69 8.89 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.667 2.245 . . . . 75.33 112.361 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.5 mtm180 -59.13 -68.61 0.26 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 73.21 110.817 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.498 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 0.4 OUTLIER -86.36 -15.19 41.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 75.12 110.85 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.52 -22.34 0.72 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 73.24 110.867 -179.771 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.41 -32.23 73.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.091 -0.504 . . . . 71.05 110.873 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.498 ' HG ' ' O ' ' A' ' 21' ' ' HIS . 2.9 pp -98.65 -11.99 21.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.439 . . . . 73.21 110.929 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -89.82 -37.05 14.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 75.11 110.873 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 75.34 110.858 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 76.9 m-85 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.898 0.38 . . . . 64.01 110.925 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -100.06 -37.78 8.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 74.54 110.923 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 4.0 p-80 -50.92 -23.38 2.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 72.22 110.887 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -58.79 -16.07 15.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 72.11 110.89 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.468 ' CD1' ' N ' ' A' ' 6' ' ' HIS . 1.0 OUTLIER -66.61 -35.55 80.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.138 -0.483 . . . . 74.13 110.923 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.468 ' N ' ' CD1' ' A' ' 5' ' ' TRP . 1.8 t60 -111.36 -38.75 4.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 73.42 110.894 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.1 mmt-85 -71.47 -65.6 0.73 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 73.45 110.9 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -57.47 -20.03 36.17 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.719 -0.753 . . . . 70.04 112.507 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 47.7 t -91.44 -13.29 8.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.89 0.376 . . . . 74.42 111.109 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.0 t -56.1 -16.88 5.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 71.51 111.128 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.26 -41.23 60.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 74.35 110.873 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.41 -18.81 37.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 74.2 110.801 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.8 t -86.18 -18.5 32.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 71.11 110.862 -179.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.509 ' O ' ' C ' ' A' ' 15' ' ' SER . 4.2 pp -100.05 -29.7 12.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.115 -0.493 . . . . 74.31 110.904 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.509 ' C ' ' O ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -29.56 -58.9 0.27 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.689 0.757 . . . . 75.02 110.881 -179.951 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.506 ' HD2' ' N ' ' A' ' 15' ' ' SER . 54.1 Cg_endo -69.75 56.07 1.34 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.687 2.258 . . . . 72.52 112.343 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -136.76 -168.24 2.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 73.51 110.848 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.8 mtm180 -47.47 105.28 0.47 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.632 0.73 . . . . 73.11 110.853 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -0.42 6.88 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.716 2.278 . . . . 75.51 112.39 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.8 ttm180 -61.37 -66.46 0.53 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 75.24 110.856 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.497 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 0.4 OUTLIER -87.7 -14.47 39.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 75.0 110.867 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.2 -21.87 0.88 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 74.14 110.862 -179.784 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 89.2 mtt-85 -63.52 -32.21 73.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 74.21 110.811 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.497 ' HG ' ' O ' ' A' ' 21' ' ' HIS . 3.0 pp -99.22 -12.1 20.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 75.31 110.95 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -90.13 -36.71 14.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 64.44 110.916 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 75.44 110.886 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.488 -0.245 . . . . 73.42 112.488 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.424 ' O ' HG12 ' A' ' 9' ' ' VAL . 46.7 t -91.55 -13.4 8.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.883 0.373 . . . . 74.11 111.109 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.715 HG23 HD23 ' A' ' 14' ' ' LEU . 2.3 t -54.95 -18.74 5.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 75.45 111.152 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.415 ' HA ' HD21 ' A' ' 14' ' ' LEU . 4.8 tttt -55.6 -41.89 74.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 61.42 110.86 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -81.89 -21.49 37.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 74.25 110.891 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.5 t -85.13 -18.65 33.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 75.01 110.872 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.715 HD23 HG23 ' A' ' 10' ' ' THR . 4.5 pp -100.03 -32.03 11.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 73.13 110.945 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.522 ' N ' ' HD2' ' A' ' 16' ' ' PRO . 0.0 OUTLIER -29.26 -58.91 0.25 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.666 0.746 . . . . 62.21 110.86 -179.898 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.522 ' HD2' ' N ' ' A' ' 15' ' ' SER . 53.5 Cg_endo -69.81 57.46 1.5 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.632 2.221 . . . . 72.25 112.346 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -140.87 -169.18 2.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 73.12 110.816 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 30.9 mtt85 -48.49 105.67 0.53 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.627 0.727 . . . . 71.24 110.868 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.428 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 53.6 Cg_endo -69.73 -1.38 8.35 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.726 2.284 . . . . 73.44 112.35 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.07 -66.06 0.6 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 72.22 110.899 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -87.63 -13.08 43.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 74.55 110.861 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.428 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 1.0 OUTLIER -50.1 -24.42 2.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 72.32 110.845 -179.745 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 79.9 mtm180 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 74.22 110.857 -179.944 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 N-CA-C 112.493 -0.243 . . . . 74.44 112.493 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.426 ' O ' HG12 ' A' ' 9' ' ' VAL . 46.9 t -91.44 -13.22 9.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.898 0.38 . . . . 73.42 111.13 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.596 HG23 HD23 ' A' ' 14' ' ' LEU . 3.7 t -51.82 -21.44 2.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 72.23 111.162 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.446 ' HA ' HD21 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -52.37 -40.66 62.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 55.51 110.884 179.89 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.27 -23.3 35.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 64.41 110.823 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -82.22 -18.99 40.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 33.14 110.852 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.596 HD23 HG23 ' A' ' 10' ' ' THR . 4.2 pp -100.76 -30.4 11.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.103 -0.499 . . . . 72.21 110.88 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.527 ' N ' ' HD2' ' A' ' 16' ' ' PRO . 0.7 OUTLIER -29.8 -58.66 0.28 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.688 0.756 . . . . 63.21 110.852 -179.939 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 15' ' ' SER . 53.5 Cg_endo -69.77 56.55 1.4 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.666 2.244 . . . . 42.54 112.321 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -138.34 -167.93 2.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 61.52 110.884 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.1 mtt180 -47.67 105.5 0.5 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.636 0.731 . . . . 70.23 110.867 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.467 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 53.7 Cg_endo -69.79 -1.85 9.21 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.708 2.272 . . . . 62.22 112.323 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.1 mtm180 -60.63 -68.2 0.32 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 63.4 110.858 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.413 ' CD2' ' H ' ' A' ' 21' ' ' HIS . 0.4 OUTLIER -86.47 -13.63 45.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 72.34 110.863 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.467 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 0.5 OUTLIER -48.81 -25.06 1.66 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 74.24 110.844 -179.822 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 71.14 110.843 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.467 -0.253 . . . . 41.14 112.467 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.415 HG12 ' O ' ' A' ' 9' ' ' VAL . 47.4 t -91.45 -13.51 8.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.916 0.389 . . . . 74.55 111.136 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.822 HG23 HD23 ' A' ' 14' ' ' LEU . 1.5 t -60.27 -13.5 13.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 70.22 111.128 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.41 -41.72 60.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 61.24 110.864 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -84.0 -16.15 45.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 72.35 110.883 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.7 t -89.68 -17.62 28.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 72.45 110.831 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.822 HD23 HG23 ' A' ' 10' ' ' THR . 4.5 pp -99.04 -32.77 11.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 74.21 110.928 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.527 ' N ' ' HD2' ' A' ' 16' ' ' PRO . 0.0 OUTLIER -29.78 -58.53 0.28 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.64 0.733 . . . . 62.24 110.863 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 15' ' ' SER . 53.3 Cg_endo -69.76 57.09 1.45 Allowed 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.752 2.301 . . . . 62.35 112.354 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -140.37 -168.67 2.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.2 -0.454 . . . . 62.14 110.877 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.5 mtm180 -48.17 105.72 0.53 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.567 0.699 . . . . 75.02 110.873 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.438 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 53.2 Cg_endo -69.74 -1.97 9.35 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.693 2.262 . . . . 73.23 112.323 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.2 mtp180 -60.15 -68.14 0.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 73.43 110.885 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.407 ' H ' ' CD2' ' A' ' 21' ' ' HIS . 0.4 OUTLIER -86.36 -13.69 45.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 73.21 110.839 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.438 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 0.6 OUTLIER -49.54 -24.64 2.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 75.03 110.869 -179.815 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 77.6 mtm180 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 71.14 110.885 -179.963 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.501 -0.24 . . . . 75.2 112.501 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.417 HG12 ' O ' ' A' ' 9' ' ' VAL . 47.2 t -91.5 -13.43 8.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.906 0.384 . . . . 73.12 111.132 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.818 HG23 HD23 ' A' ' 14' ' ' LEU . 1.7 t -59.25 -14.27 10.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 74.21 111.167 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.7 pttt -51.17 -41.39 60.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 64.45 110.913 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -83.73 -18.62 37.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 75.13 110.877 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.37 -18.13 32.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 64.45 110.853 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.818 HD23 HG23 ' A' ' 10' ' ' THR . 4.5 pp -99.69 -31.56 11.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 63.31 110.897 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.52 ' N ' ' HD2' ' A' ' 16' ' ' PRO . 0.0 OUTLIER -29.58 -59.01 0.27 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.632 0.73 . . . . 61.54 110.817 -179.896 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.52 ' HD2' ' N ' ' A' ' 15' ' ' SER . 53.2 Cg_endo -69.79 57.23 1.47 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.706 2.271 . . . . 74.24 112.282 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -139.97 -168.66 2.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.448 . . . . 74.1 110.835 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 9.9 mtt180 -48.18 105.66 0.52 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.621 0.724 . . . . 70.31 110.917 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.436 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 54.5 Cg_endo -69.72 -1.95 9.31 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.693 2.262 . . . . 73.32 112.38 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -60.49 -67.99 0.34 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 73.1 110.908 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.4 ' H ' ' CD2' ' A' ' 21' ' ' HIS . 0.4 OUTLIER -86.42 -13.51 46.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 74.31 110.843 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.436 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 0.7 OUTLIER -49.47 -24.76 2.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 63.23 110.857 -179.781 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 18.7 mtm180 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.092 -0.503 . . . . 75.21 110.891 -179.94 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 N-CA-C 112.457 -0.257 . . . . 74.4 112.457 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.42 ' O ' HG12 ' A' ' 9' ' ' VAL . 47.8 t -91.42 -13.65 8.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.926 0.393 . . . . 63.51 111.13 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.683 HG23 HD23 ' A' ' 14' ' ' LEU . 2.7 t -54.18 -19.67 5.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 71.22 111.117 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.415 ' HA ' HD21 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -53.9 -41.49 67.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 74.4 110.92 179.9 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -81.93 -22.65 36.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 72.33 110.89 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.9 t -83.15 -19.15 37.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 75.42 110.876 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.683 HD23 HG23 ' A' ' 10' ' ' THR . 4.3 pp -100.4 -29.96 12.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 73.45 110.928 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.517 ' N ' ' HD2' ' A' ' 16' ' ' PRO . 0.7 OUTLIER -29.53 -58.69 0.27 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.669 0.747 . . . . 65.25 110.82 -179.913 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' A' ' 15' ' ' SER . 53.3 Cg_endo -69.8 56.25 1.38 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.636 2.224 . . . . 65.11 112.353 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -137.74 -167.89 2.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 72.33 110.85 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.67 105.41 0.49 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.606 0.717 . . . . 73.01 110.857 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.453 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 53.8 Cg_endo -69.77 -1.45 8.5 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.665 2.244 . . . . 71.11 112.361 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.3 mtt180 -59.31 -68.46 0.27 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 74.11 110.86 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.41 ' CD2' ' H ' ' A' ' 21' ' ' HIS . 0.4 OUTLIER -86.28 -15.19 41.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 64.24 110.886 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.453 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 0.3 OUTLIER -48.64 -22.28 0.74 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 71.41 110.878 -179.774 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.3 mmm-85 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 74.51 110.856 -179.939 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.47 -0.252 . . . . 72.12 112.47 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.416 HG12 ' O ' ' A' ' 9' ' ' VAL . 46.6 t -91.26 -13.32 9.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.893 0.378 . . . . 71.01 111.152 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.78 HG23 HD23 ' A' ' 14' ' ' LEU . 1.7 t -56.59 -16.61 6.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 75.52 111.128 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.435 ' HA ' HD21 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -50.79 -40.85 56.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 72.44 110.867 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.83 -20.77 32.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 70.03 110.832 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.1 t -83.59 -18.61 37.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.429 . . . . 44.05 110.845 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.78 HD23 HG23 ' A' ' 10' ' ' THR . 4.2 pp -100.02 -30.53 11.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 72.21 110.953 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.543 ' N ' ' HD2' ' A' ' 16' ' ' PRO . 0.0 OUTLIER -30.39 -57.63 0.32 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.639 0.733 . . . . 73.32 110.834 -179.905 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.543 ' HD2' ' N ' ' A' ' 15' ' ' SER . 53.5 Cg_endo -69.8 55.44 1.29 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.707 2.272 . . . . 72.35 112.323 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -137.37 -167.25 2.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 73.33 110.864 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.34 105.25 0.47 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.576 0.703 . . . . 73.15 110.879 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.472 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 54.0 Cg_endo -69.71 -1.75 8.97 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.74 2.294 . . . . 65.53 112.332 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.4 mtm180 -60.24 -68.59 0.28 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 74.41 110.9 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.43 ' CD2' ' H ' ' A' ' 21' ' ' HIS . 0.4 OUTLIER -86.52 -14.07 44.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 75.22 110.855 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.472 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 0.3 OUTLIER -48.17 -25.19 1.39 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.26 -0.427 . . . . 72.24 110.854 -179.808 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 74.33 110.84 -179.895 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.471 -0.252 . . . . 70.42 112.471 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.419 ' O ' HG12 ' A' ' 9' ' ' VAL . 46.4 t -91.44 -13.47 8.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.916 0.388 . . . . 62.44 111.154 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.726 HG23 HD23 ' A' ' 14' ' ' LEU . 2.1 t -55.04 -18.72 5.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 74.01 111.168 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.42 ' HA ' HD21 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -54.47 -41.71 69.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 75.35 110.858 179.888 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -82.19 -20.86 36.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.287 -0.415 . . . . 71.3 110.872 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -85.52 -18.59 33.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 62.14 110.849 -179.751 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.726 HD23 HG23 ' A' ' 10' ' ' THR . 4.2 pp -100.49 -30.07 12.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 64.43 110.969 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.522 ' N ' ' HD2' ' A' ' 16' ' ' PRO . 0.0 OUTLIER -29.31 -58.91 0.26 Allowed Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.707 0.765 . . . . 72.41 110.88 -179.92 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.522 ' HD2' ' N ' ' A' ' 15' ' ' SER . 53.4 Cg_endo -69.78 56.12 1.36 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.687 2.258 . . . . 65.11 112.351 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -137.11 -168.35 2.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 72.53 110.85 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -47.63 105.29 0.47 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.612 0.72 . . . . 73.22 110.88 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.452 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 54.0 Cg_endo -69.77 -0.39 6.85 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.67 2.246 . . . . 72.4 112.333 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.3 ttt180 -61.25 -66.46 0.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 63.3 110.877 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.412 ' CD2' ' H ' ' A' ' 21' ' ' HIS . 0.4 OUTLIER -87.71 -14.45 39.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 75.14 110.879 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.452 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 0.4 OUTLIER -49.28 -21.89 0.94 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 64.42 110.852 -179.799 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 74.01 110.845 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.461 -0.256 . . . . 61.45 112.461 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.412 HG12 ' O ' ' A' ' 9' ' ' VAL . 46.6 t -91.65 -13.3 8.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.878 0.371 . . . . 73.24 111.124 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.828 HG23 HD23 ' A' ' 14' ' ' LEU . 1.6 t -59.05 -14.44 9.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 54.5 111.196 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.402 ' HA ' HD21 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -51.14 -41.27 59.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 71.03 110.924 179.859 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -83.87 -19.08 35.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 74.13 110.857 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -85.82 -18.16 33.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 64.45 110.864 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.828 HD23 HG23 ' A' ' 10' ' ' THR . 4.5 pp -99.67 -31.72 11.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.1 -0.5 . . . . 61.22 110.955 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.521 ' N ' ' HD2' ' A' ' 16' ' ' PRO . 0.0 OUTLIER -29.46 -58.89 0.26 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.632 0.73 . . . . 73.33 110.836 -179.916 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.521 ' HD2' ' N ' ' A' ' 15' ' ' SER . 53.2 Cg_endo -69.82 57.06 1.47 Allowed 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.697 2.264 . . . . 65.14 112.335 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -140.08 -169.12 2.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 74.12 110.859 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.4 mtp85 -48.38 105.55 0.51 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.556 0.693 . . . . 63.45 110.862 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.423 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 53.7 Cg_endo -69.77 -1.4 8.42 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.668 2.246 . . . . 64.23 112.337 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.46 ' HG3' ' N ' ' A' ' 21' ' ' HIS . 0.2 OUTLIER -61.76 -65.45 0.69 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 55.02 110.896 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.46 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -88.74 -13.0 40.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.145 -0.48 . . . . 74.33 110.852 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.423 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 1.1 t -49.88 -24.54 2.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 54.25 110.874 -179.758 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 52.0 mtt180 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 73.25 110.858 -179.948 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.515 -0.234 . . . . 74.52 112.515 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.408 HG12 ' O ' ' A' ' 9' ' ' VAL . 46.8 t -91.44 -13.28 8.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.87 0.367 . . . . 71.23 111.122 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.636 HG23 HD23 ' A' ' 14' ' ' LEU . 3.5 t -52.01 -21.18 2.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 73.33 111.149 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.423 ' HA ' HD21 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -51.33 -40.6 59.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 73.23 110.912 179.864 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.2 -21.04 36.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 75.32 110.883 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -85.15 -18.45 34.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 51.31 110.889 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.636 HD23 HG23 ' A' ' 10' ' ' THR . 4.5 pp -100.4 -31.91 11.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.092 -0.504 . . . . 73.11 110.891 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.522 ' N ' ' HD2' ' A' ' 16' ' ' PRO . 0.0 OUTLIER -29.32 -59.01 0.25 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.631 0.729 . . . . 73.11 110.822 -179.936 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.522 ' HD2' ' N ' ' A' ' 15' ' ' SER . 53.7 Cg_endo -69.76 57.17 1.46 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.703 2.269 . . . . 71.41 112.353 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -140.13 -169.01 2.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 75.25 110.783 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.4 mtt-85 -48.3 105.52 0.51 Allowed Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.586 0.708 . . . . 72.23 110.913 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.429 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 54.0 Cg_endo -69.72 -1.31 8.22 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.693 2.262 . . . . 72.24 112.374 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.463 ' HG3' ' N ' ' A' ' 21' ' ' HIS . 0.2 OUTLIER -61.77 -65.54 0.67 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 74.25 110.87 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.463 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -88.75 -12.96 40.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.458 . . . . 74.41 110.827 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.429 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 1.0 OUTLIER -49.89 -24.64 2.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 71.35 110.842 -179.791 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.9 mtm180 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 64.1 110.905 -179.976 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.495 -0.242 . . . . 30.44 112.495 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.411 HG12 ' O ' ' A' ' 9' ' ' VAL . 47.3 t -91.5 -13.44 8.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.908 0.385 . . . . 73.5 111.141 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.813 HG23 HD23 ' A' ' 14' ' ' LEU . 1.6 t -59.35 -14.23 11.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 73.44 111.174 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.24 -41.36 60.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 54.23 110.898 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -83.68 -18.43 38.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 73.43 110.888 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.7 -18.05 32.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 52.33 110.848 -179.826 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.813 HD23 HG23 ' A' ' 10' ' ' THR . 4.5 pp -99.69 -31.59 11.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.135 -0.484 . . . . 71.54 110.927 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.515 ' N ' ' HD2' ' A' ' 16' ' ' PRO . 0.0 OUTLIER -29.37 -58.94 0.26 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.634 0.731 . . . . 75.3 110.895 -179.927 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.515 ' HD2' ' N ' ' A' ' 15' ' ' SER . 53.6 Cg_endo -69.78 56.98 1.45 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.705 2.27 . . . . 74.21 112.341 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -139.63 -168.92 2.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 74.25 110.835 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.3 mtt180 -48.11 105.59 0.51 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.573 0.701 . . . . 71.43 110.851 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.437 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 53.9 Cg_endo -69.8 -1.2 8.1 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.656 2.237 . . . . 73.42 112.359 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.8 ttm180 -61.88 -66.19 0.58 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 64.21 110.888 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -87.63 -13.44 42.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 74.41 110.866 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.437 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 0.9 OUTLIER -49.87 -24.44 2.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 74.31 110.824 -179.756 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.5 mtm180 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.481 . . . . 72.32 110.881 -179.948 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.487 -0.245 . . . . 33.34 112.487 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.425 ' O ' HG12 ' A' ' 9' ' ' VAL . 46.5 t -91.46 -13.38 8.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.909 0.385 . . . . 75.33 111.102 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.722 HG23 HD23 ' A' ' 14' ' ' LEU . 2.2 t -55.17 -18.61 6.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 73.11 111.165 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.418 ' HA ' HD21 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -55.16 -41.78 72.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 74.44 110.896 179.891 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -82.28 -21.32 36.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 64.11 110.918 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -85.18 -18.35 34.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 74.54 110.844 -179.785 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.722 HD23 HG23 ' A' ' 10' ' ' THR . 4.5 pp -100.24 -31.72 11.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 71.24 110.92 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.522 ' N ' ' HD2' ' A' ' 16' ' ' PRO . 0.0 OUTLIER -29.29 -58.99 0.25 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.692 0.758 . . . . 52.11 110.835 -179.895 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.522 ' HD2' ' N ' ' A' ' 15' ' ' SER . 54.0 Cg_endo -69.8 56.99 1.46 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.674 2.25 . . . . 74.22 112.312 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -139.56 -168.84 2.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 75.51 110.833 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 9.9 mmm180 -48.07 105.55 0.51 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.603 0.716 . . . . 65.14 110.893 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.421 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 53.7 Cg_endo -69.75 -1.18 8.03 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.684 2.256 . . . . 63.01 112.347 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.445 ' HG3' ' N ' ' A' ' 21' ' ' HIS . 0.0 OUTLIER -61.56 -65.71 0.65 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 73.33 110.871 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.445 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -88.65 -13.35 40.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 73.31 110.86 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.421 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 0.9 OUTLIER -49.72 -24.62 2.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 62.42 110.877 -179.758 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 13.0 mtt-85 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.114 -0.494 . . . . 74.51 110.82 -179.945 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.521 -0.232 . . . . 74.13 112.521 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.416 HG12 ' O ' ' A' ' 9' ' ' VAL . 47.6 t -91.41 -13.23 9.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.932 0.396 . . . . 62.3 111.152 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.763 HG23 HD23 ' A' ' 14' ' ' LEU . 1.7 t -58.14 -15.48 9.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 73.0 111.124 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.09 -41.32 59.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 52.34 110.867 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.96 -18.52 36.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 73.52 110.874 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 10.2 t -86.19 -18.26 32.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 64.51 110.862 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.763 HD23 HG23 ' A' ' 10' ' ' THR . 4.2 pp -99.87 -29.88 12.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 72.32 110.898 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.519 ' N ' ' HD2' ' A' ' 16' ' ' PRO . 0.0 OUTLIER -29.8 -58.79 0.28 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.611 0.72 . . . . 64.53 110.862 -179.918 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.519 ' HD2' ' N ' ' A' ' 15' ' ' SER . 53.8 Cg_endo -69.82 56.3 1.39 Allowed 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.681 2.254 . . . . 74.43 112.338 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -137.13 -167.95 2.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.433 . . . . 72.13 110.874 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.2 mtm180 -47.62 105.52 0.5 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.632 0.729 . . . . 72.01 110.832 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.458 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 53.5 Cg_endo -69.76 -1.52 8.6 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.716 2.277 . . . . 61.54 112.301 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -59.34 -68.31 0.29 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 74.13 110.84 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.417 ' CD2' ' H ' ' A' ' 21' ' ' HIS . 0.4 OUTLIER -86.52 -15.11 41.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 70.1 110.852 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.458 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 0.3 OUTLIER -48.52 -22.3 0.71 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.443 . . . . 42.11 110.825 -179.766 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.1 mtm180 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 61.02 110.901 -179.938 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.49 -0.244 . . . . 54.11 112.49 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.421 ' O ' HG12 ' A' ' 9' ' ' VAL . 46.9 t -91.31 -13.36 9.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.849 0.357 . . . . 65.44 111.113 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.657 HG23 HD23 ' A' ' 14' ' ' LEU . 2.9 t -52.28 -19.72 2.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 53.34 111.116 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.84 -40.79 61.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 74.32 110.908 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -83.21 -17.02 44.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 70.45 110.86 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -89.73 -18.01 27.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 61.14 110.876 -179.803 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.657 HD23 HG23 ' A' ' 10' ' ' THR . 4.4 pp -99.58 -30.92 11.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.104 -0.498 . . . . 72.32 110.909 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.53 ' N ' ' HD2' ' A' ' 16' ' ' PRO . 0.0 OUTLIER -30.03 -58.43 0.29 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.668 0.747 . . . . 62.41 110.85 -179.934 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.53 ' HD2' ' N ' ' A' ' 15' ' ' SER . 53.9 Cg_endo -69.72 56.03 1.32 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.628 2.219 . . . . 75.05 112.361 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -137.14 -167.88 2.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.238 -0.437 . . . . 73.54 110.867 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.9 mtm180 -47.46 105.46 0.49 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.613 0.72 . . . . 73.21 110.859 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.46 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 53.7 Cg_endo -69.73 -1.43 8.44 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.705 2.27 . . . . 61.0 112.323 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.1 mtt-85 -59.08 -68.45 0.27 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 71.55 110.906 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.425 ' CD2' ' H ' ' A' ' 21' ' ' HIS . 0.4 OUTLIER -86.37 -15.48 40.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 73.52 110.848 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.46 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 0.3 OUTLIER -48.29 -22.36 0.66 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 71.24 110.852 -179.757 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.8 mtt85 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 61.53 110.849 -179.94 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.262 0 N-CA-C 112.467 -0.253 . . . . 44.23 112.467 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.417 HG12 ' O ' ' A' ' 9' ' ' VAL . 47.5 t -91.51 -13.39 8.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.88 0.371 . . . . 73.4 111.119 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.808 HG23 HD23 ' A' ' 14' ' ' LEU . 1.6 t -59.4 -14.18 11.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 61.11 111.113 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.28 -41.39 60.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 73.24 110.914 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -83.67 -18.64 37.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 71.01 110.888 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.27 -18.27 32.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 74.53 110.902 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.808 HD23 HG23 ' A' ' 10' ' ' THR . 4.3 pp -99.98 -29.76 12.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 72.01 110.894 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.521 ' N ' ' HD2' ' A' ' 16' ' ' PRO . 0.0 OUTLIER -29.66 -58.96 0.27 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.644 0.735 . . . . 75.41 110.842 -179.907 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.521 ' HD2' ' N ' ' A' ' 15' ' ' SER . 53.7 Cg_endo -69.78 56.34 1.38 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.654 2.236 . . . . 72.42 112.364 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -137.22 -167.98 2.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.184 -0.462 . . . . 72.12 110.891 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.8 mtp180 -47.66 105.47 0.49 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.642 0.734 . . . . 74.23 110.874 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.453 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 53.3 Cg_endo -69.82 -1.29 8.27 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.664 2.243 . . . . 74.4 112.329 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.1 mtp85 -59.21 -68.42 0.28 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 73.12 110.866 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.417 ' CD2' ' H ' ' A' ' 21' ' ' HIS . 0.4 OUTLIER -86.48 -15.35 40.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 71.43 110.805 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.453 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 0.3 OUTLIER -48.14 -22.55 0.65 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 70.12 110.834 -179.774 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 62.43 110.836 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.474 -0.251 . . . . 73.24 112.474 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.422 ' O ' HG12 ' A' ' 9' ' ' VAL . 46.8 t -91.51 -13.45 8.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.925 0.393 . . . . 72.04 111.101 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.727 HG23 HD23 ' A' ' 14' ' ' LEU . 2.2 t -55.0 -18.75 5.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 73.42 111.154 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.429 ' HA ' HD21 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -54.64 -41.72 70.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 71.5 110.942 179.872 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -82.25 -21.13 36.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 73.01 110.899 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -85.2 -18.45 34.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 54.03 110.882 -179.82 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.727 HD23 HG23 ' A' ' 10' ' ' THR . 4.4 pp -100.27 -31.17 11.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 71.44 110.926 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.522 ' N ' ' HD2' ' A' ' 16' ' ' PRO . 0.0 OUTLIER -28.4 -58.94 0.23 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.683 0.754 . . . . 72.4 110.876 -179.942 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.522 ' HD2' ' N ' ' A' ' 15' ' ' SER . 53.8 Cg_endo -69.74 58.28 1.54 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.689 2.259 . . . . 62.23 112.316 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -142.87 -168.97 2.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.434 . . . . 73.12 110.852 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.26 106.1 0.57 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.557 0.694 . . . . 75.25 110.905 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.404 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 53.7 Cg_endo -69.79 -0.87 7.56 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.705 2.27 . . . . 73.2 112.338 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.448 ' HG3' ' N ' ' A' ' 21' ' ' HIS . 0.2 OUTLIER -61.57 -65.06 0.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 71.54 110.881 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.448 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -89.07 -12.66 40.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 75.13 110.879 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.404 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 0.9 OUTLIER -52.54 -21.07 3.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 62.25 110.896 -179.842 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.9 mtt180 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.084 -0.507 . . . . 62.32 110.89 -179.937 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.248 0 N-CA-C 112.461 -0.255 . . . . 75.51 112.461 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.424 ' O ' HG12 ' A' ' 9' ' ' VAL . 46.3 t -91.45 -13.43 8.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.929 0.395 . . . . 72.45 111.12 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.765 HG23 HD23 ' A' ' 14' ' ' LEU . 1.9 t -55.9 -17.87 7.57 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.198 -0.456 . . . . 73.51 111.141 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.42 ' HA ' HD21 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -55.34 -41.7 72.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 65.31 110.916 179.863 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -82.83 -19.26 37.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 72.13 110.903 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -88.24 -18.04 29.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 71.42 110.82 -179.812 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.765 HD23 HG23 ' A' ' 10' ' ' THR . 4.3 pp -99.7 -30.72 11.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.18 -0.464 . . . . 53.55 110.941 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.533 ' N ' ' HD2' ' A' ' 16' ' ' PRO . 0.1 OUTLIER -29.8 -58.22 0.29 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.664 0.745 . . . . 61.0 110.85 -179.906 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.533 ' HD2' ' N ' ' A' ' 15' ' ' SER . 54.0 Cg_endo -69.76 55.88 1.32 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.679 2.253 . . . . 74.03 112.348 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -137.12 -168.35 2.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 54.13 110.818 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 37.7 mtt180 -47.5 105.29 0.47 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.588 0.708 . . . . 70.2 110.863 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.441 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 54.5 Cg_endo -69.72 -0.34 6.74 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.701 2.268 . . . . 72.45 112.372 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.24 -66.45 0.53 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 71.35 110.842 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.406 ' CD2' ' H ' ' A' ' 21' ' ' HIS . 0.4 OUTLIER -87.74 -14.58 39.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 71.5 110.847 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.441 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 0.4 OUTLIER -49.2 -21.9 0.89 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 51.33 110.825 -179.761 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.5 mmt85 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 53.45 110.878 -179.939 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.495 -0.242 . . . . 55.22 112.495 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 76.4 t -91.1 -20.44 6.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.927 0.394 . . . . 72.11 111.156 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 14.7 t -57.82 -17.1 13.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 70.33 111.108 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.419 ' HA ' HD21 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -56.05 -42.32 76.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 72.44 110.94 179.898 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.6 ptm180 -82.21 -20.32 37.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 74.21 110.861 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -85.98 -18.39 32.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 63.13 110.875 -179.776 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.491 ' O ' ' C ' ' A' ' 15' ' ' SER . 4.5 pp -100.0 -32.57 10.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 75.43 110.908 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.542 ' N ' ' HD2' ' A' ' 16' ' ' PRO . 0.1 OUTLIER -29.88 -57.78 0.3 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.667 0.746 . . . . 73.43 110.865 -179.898 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.542 ' HD2' ' N ' ' A' ' 15' ' ' SER . 53.9 Cg_endo -69.75 56.33 1.37 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.699 2.266 . . . . 61.32 112.337 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -140.03 -167.86 2.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 65.21 110.871 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.429 ' HA ' ' HD2' ' A' ' 19' ' ' PRO . 0.4 OUTLIER -48.0 105.46 0.5 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.596 0.712 . . . . 72.23 110.901 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.443 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 53.4 Cg_endo -69.78 -2.02 9.48 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.699 2.266 . . . . 72.45 112.34 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.3 mtm180 -60.56 -68.22 0.32 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 72.25 110.846 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.417 ' CD2' ' H ' ' A' ' 21' ' ' HIS . 0.4 OUTLIER -86.4 -13.41 46.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 72.4 110.866 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.443 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 0.5 OUTLIER -49.54 -24.66 2.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 65.33 110.861 -179.801 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 73.2 mtt180 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.478 . . . . 72.21 110.879 -179.95 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.481 -0.248 . . . . 45.23 112.481 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.415 HG12 ' O ' ' A' ' 9' ' ' VAL . 47.5 t -91.45 -13.35 8.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.933 0.397 . . . . 55.3 111.146 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.801 HG23 HD23 ' A' ' 14' ' ' LEU . 2.0 t -57.14 -15.97 6.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 71.53 111.154 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.425 ' HA ' HD21 ' A' ' 14' ' ' LEU . 3.4 pttt -50.59 -41.05 54.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 73.1 110.909 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -83.79 -21.06 32.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 72.24 110.896 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -83.35 -18.59 38.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 61.24 110.836 -179.772 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.801 HD23 HG23 ' A' ' 10' ' ' THR . 4.1 pp -100.18 -30.55 11.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 73.43 110.909 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.541 ' N ' ' HD2' ' A' ' 16' ' ' PRO . 0.0 OUTLIER -30.13 -57.68 0.31 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.702 0.763 . . . . 61.54 110.936 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.541 ' HD2' ' N ' ' A' ' 15' ' ' SER . 54.0 Cg_endo -69.73 55.29 1.25 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.64 2.227 . . . . 65.21 112.409 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -137.28 -167.52 2.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 74.31 110.865 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 9.6 mtp180 -47.26 105.11 0.45 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.629 0.728 . . . . 73.43 110.908 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.449 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 53.9 Cg_endo -69.72 -1.1 7.86 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.688 2.259 . . . . 72.44 112.354 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.46 ' HG3' ' N ' ' A' ' 21' ' ' HIS . 0.3 OUTLIER -61.55 -66.36 0.55 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 63.3 110.873 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.46 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -88.6 -13.43 39.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 55.42 110.908 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.449 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 0.5 OUTLIER -48.87 -24.91 1.63 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 63.42 110.868 -179.799 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 56.1 mtt180 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 64.43 110.891 -179.967 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.475 -0.25 . . . . 74.15 112.475 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.414 HG12 ' O ' ' A' ' 9' ' ' VAL . 47.3 t -91.53 -13.46 8.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.859 0.361 . . . . 51.02 111.104 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.838 HG23 HD23 ' A' ' 14' ' ' LEU . 1.5 t -60.57 -13.37 13.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 61.41 111.163 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.42 ' HA ' HD21 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -50.1 -41.23 48.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 75.42 110.878 179.891 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.53 -20.1 32.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 71.41 110.883 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.8 t -83.86 -18.3 37.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 73.21 110.903 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.838 HD23 HG23 ' A' ' 10' ' ' THR . 4.3 pp -99.73 -30.46 12.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.087 -0.506 . . . . 75.02 110.907 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.542 ' N ' ' HD2' ' A' ' 16' ' ' PRO . 0.0 OUTLIER -29.95 -57.8 0.3 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.66 0.743 . . . . 72.1 110.839 -179.946 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.542 ' HD2' ' N ' ' A' ' 15' ' ' SER . 53.4 Cg_endo -69.82 55.24 1.28 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.691 2.26 . . . . 72.54 112.311 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -137.09 -167.39 2.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 75.01 110.892 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.6 mtt180 -47.44 105.17 0.46 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.637 0.732 . . . . 74.51 110.878 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.451 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 53.3 Cg_endo -69.73 -1.69 8.89 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.667 2.245 . . . . 75.33 112.361 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.5 mtm180 -59.13 -68.61 0.26 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 61.4 110.817 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.417 ' CD2' ' H ' ' A' ' 21' ' ' HIS . 0.4 OUTLIER -86.36 -15.19 41.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 73.23 110.85 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.451 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 0.3 OUTLIER -48.52 -22.34 0.72 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 71.25 110.867 -179.771 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.091 -0.504 . . . . 64.12 110.873 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.507 -0.237 . . . . 63.33 112.507 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.408 HG12 ' O ' ' A' ' 9' ' ' VAL . 47.7 t -91.44 -13.29 8.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.89 0.376 . . . . 73.21 111.109 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.735 HG23 HD23 ' A' ' 14' ' ' LEU . 2.0 t -56.1 -16.88 5.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 63.32 111.128 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.26 -41.23 60.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 72.13 110.873 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.41 -18.81 37.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 64.31 110.801 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.8 t -86.18 -18.5 32.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 71.11 110.862 -179.77 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.735 HD23 HG23 ' A' ' 10' ' ' THR . 4.2 pp -100.05 -29.7 12.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.115 -0.493 . . . . 74.31 110.904 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.52 ' N ' ' HD2' ' A' ' 16' ' ' PRO . 0.0 OUTLIER -29.56 -58.9 0.27 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.689 0.757 . . . . 70.23 110.881 -179.951 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.52 ' HD2' ' N ' ' A' ' 15' ' ' SER . 54.1 Cg_endo -69.75 56.07 1.34 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.687 2.258 . . . . 71.22 112.343 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -136.76 -168.24 2.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 73.51 110.848 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.8 mtm180 -47.47 105.28 0.47 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.632 0.73 . . . . 73.11 110.853 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.451 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 54.2 Cg_endo -69.76 -0.42 6.88 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.716 2.278 . . . . 54.2 112.39 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.8 ttm180 -61.37 -66.46 0.53 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 75.24 110.856 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.406 ' CD2' ' H ' ' A' ' 21' ' ' HIS . 0.4 OUTLIER -87.7 -14.47 39.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 75.0 110.867 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.451 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 0.4 OUTLIER -49.2 -21.87 0.88 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 61.22 110.862 -179.784 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 89.2 mtt-85 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 71.02 110.811 -179.892 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.908 0.385 . . . . 73.24 110.898 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -100.03 -37.69 8.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.088 -0.506 . . . . 74.45 110.955 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -52.3 -19.92 2.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.079 -0.509 . . . . 74.44 110.804 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.466 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.1 OUTLIER -61.07 -15.61 34.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 75.41 110.891 -179.869 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.454 ' CD1' ' N ' ' A' ' 6' ' ' HIS . 1.0 OUTLIER -66.96 -35.69 80.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.488 . . . . 74.04 110.904 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.454 ' N ' ' CD1' ' A' ' 5' ' ' TRP . 0.2 OUTLIER -111.01 -38.19 5.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 65.42 110.836 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.505 ' O ' HG22 ' A' ' 10' ' ' THR . 21.7 mmm180 -71.84 -65.83 0.71 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 74.42 110.875 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.429 ' H ' ' HA ' ' A' ' 4' ' ' PHE . . . -57.47 -20.23 36.91 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.742 -0.742 . . . . 73.42 112.488 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 4' ' ' PHE . 46.7 t -91.55 -13.4 8.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.883 0.373 . . . . 74.11 111.109 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.715 HG23 HD23 ' A' ' 14' ' ' LEU . 2.3 t -54.95 -18.74 5.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 75.45 111.152 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.415 ' HA ' HD21 ' A' ' 14' ' ' LEU . 4.8 tttt -55.6 -41.89 74.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 61.42 110.86 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -81.89 -21.49 37.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 74.25 110.891 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.5 t -85.13 -18.65 33.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 75.01 110.872 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.715 HD23 HG23 ' A' ' 10' ' ' THR . 4.5 pp -100.03 -32.03 11.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 73.13 110.945 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.522 ' N ' ' HD2' ' A' ' 16' ' ' PRO . 0.0 OUTLIER -29.26 -58.91 0.25 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.666 0.746 . . . . 62.21 110.86 -179.898 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.522 ' HD2' ' N ' ' A' ' 15' ' ' SER . 53.5 Cg_endo -69.81 57.46 1.5 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.632 2.221 . . . . 72.25 112.346 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -140.87 -169.18 2.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 73.12 110.816 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 30.9 mtt85 -48.49 105.67 0.53 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.627 0.727 . . . . 71.24 110.868 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.428 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 53.6 Cg_endo -69.73 -1.38 8.35 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.726 2.284 . . . . 73.44 112.35 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.07 -66.06 0.6 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 72.22 110.899 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -87.63 -13.08 43.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 74.55 110.861 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.428 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 1.0 OUTLIER -50.1 -24.42 2.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 72.32 110.845 -179.745 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 79.9 mtm180 -71.08 -28.38 64.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 74.22 110.857 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -98.65 -13.87 20.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 61.01 110.918 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -89.4 -38.83 13.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 52.53 110.879 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 73.24 110.833 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 1.4 t80 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.927 0.394 . . . . 74.42 110.943 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -99.97 -37.8 8.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.07 -0.513 . . . . 75.34 110.927 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 3.9 p-80 -50.96 -23.35 2.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 74.34 110.86 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.47 ' O ' HG23 ' A' ' 9' ' ' VAL . 10.9 m-85 -58.76 -16.11 15.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 73.35 110.877 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.463 ' CD1' ' N ' ' A' ' 6' ' ' HIS . 1.0 OUTLIER -66.61 -35.46 80.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 73.31 110.908 -179.946 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.463 ' N ' ' CD1' ' A' ' 5' ' ' TRP . 0.2 OUTLIER -111.51 -38.74 4.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 73.33 110.875 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.484 ' O ' HG22 ' A' ' 10' ' ' THR . 4.3 mmt180 -71.39 -65.67 0.72 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 72.3 110.849 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.437 ' H ' ' HA ' ' A' ' 4' ' ' PHE . . . -57.39 -19.87 34.93 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.735 -0.745 . . . . 74.44 112.493 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 4' ' ' PHE . 46.9 t -91.44 -13.22 9.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.898 0.38 . . . . 73.42 111.13 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.596 HG23 HD23 ' A' ' 14' ' ' LEU . 3.7 t -51.82 -21.44 2.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 72.23 111.162 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.446 ' HA ' HD21 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -52.37 -40.66 62.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 55.51 110.884 179.89 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.27 -23.3 35.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 64.41 110.823 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -82.22 -18.99 40.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 33.14 110.852 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.596 HD23 HG23 ' A' ' 10' ' ' THR . 4.2 pp -100.76 -30.4 11.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.103 -0.499 . . . . 72.21 110.88 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.527 ' N ' ' HD2' ' A' ' 16' ' ' PRO . 0.7 OUTLIER -29.8 -58.66 0.28 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.688 0.756 . . . . 63.21 110.852 -179.939 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 15' ' ' SER . 53.5 Cg_endo -69.77 56.55 1.4 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.666 2.244 . . . . 42.54 112.321 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -138.34 -167.93 2.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 61.52 110.884 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.1 mtt180 -47.67 105.5 0.5 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.636 0.731 . . . . 70.23 110.867 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.467 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 53.7 Cg_endo -69.79 -1.85 9.21 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.708 2.272 . . . . 62.22 112.323 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.1 mtm180 -60.63 -68.2 0.32 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 63.4 110.858 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.413 ' CD2' ' H ' ' A' ' 21' ' ' HIS . 0.4 OUTLIER -86.47 -13.63 45.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 72.34 110.863 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.467 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 0.5 OUTLIER -48.81 -25.06 1.66 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 74.24 110.844 -179.822 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.34 -30.38 71.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 71.14 110.843 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -97.9 -13.36 21.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.449 . . . . 74.24 110.92 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.41 ' OE1' HD11 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -91.23 -35.51 14.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 73.11 110.918 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 71.31 110.892 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 40.9 p90 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.891 0.377 . . . . 70.23 110.922 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -100.02 -37.77 8.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 75.51 110.899 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 3.8 p-80 -50.94 -23.37 2.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 73.03 110.88 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.472 ' O ' HG23 ' A' ' 9' ' ' VAL . 8.3 t80 -58.85 -16.03 15.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 70.2 110.86 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.456 ' CD1' ' N ' ' A' ' 6' ' ' HIS . 1.0 OUTLIER -66.61 -35.54 80.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.161 -0.472 . . . . 73.41 110.922 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.456 ' N ' ' CD1' ' A' ' 5' ' ' TRP . 0.4 OUTLIER -111.36 -38.79 4.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.439 . . . . 60.43 110.849 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.52 ' O ' HG22 ' A' ' 10' ' ' THR . 1.2 mmt85 -71.43 -65.64 0.73 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 65.1 110.929 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.432 ' H ' ' HA ' ' A' ' 4' ' ' PHE . . . -57.34 -20.07 35.36 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.783 -0.723 . . . . 41.14 112.467 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 4' ' ' PHE . 47.4 t -91.45 -13.51 8.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.916 0.389 . . . . 74.55 111.136 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.822 HG23 HD23 ' A' ' 14' ' ' LEU . 1.5 t -60.27 -13.5 13.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 70.22 111.128 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.41 -41.72 60.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 61.24 110.864 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -84.0 -16.15 45.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 72.35 110.883 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.7 t -89.68 -17.62 28.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 72.45 110.831 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.822 HD23 HG23 ' A' ' 10' ' ' THR . 4.5 pp -99.04 -32.77 11.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 74.21 110.928 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.527 ' N ' ' HD2' ' A' ' 16' ' ' PRO . 0.0 OUTLIER -29.78 -58.53 0.28 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.64 0.733 . . . . 62.24 110.863 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 15' ' ' SER . 53.3 Cg_endo -69.76 57.09 1.45 Allowed 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.752 2.301 . . . . 62.35 112.354 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -140.37 -168.67 2.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.2 -0.454 . . . . 62.14 110.877 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.5 mtm180 -48.17 105.72 0.53 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.567 0.699 . . . . 75.02 110.873 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.438 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 53.2 Cg_endo -69.74 -1.97 9.35 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.693 2.262 . . . . 73.23 112.323 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.2 mtp180 -60.15 -68.14 0.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 73.43 110.885 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.407 ' H ' ' CD2' ' A' ' 21' ' ' HIS . 0.4 OUTLIER -86.36 -13.69 45.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 73.21 110.839 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.438 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 0.6 OUTLIER -49.54 -24.64 2.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 75.03 110.869 -179.815 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 77.6 mtm180 -68.59 -29.13 67.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 71.14 110.885 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -98.11 -13.91 20.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 73.55 110.887 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -90.22 -36.92 14.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 74.22 110.905 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 75.14 110.867 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.903 0.382 . . . . 75.44 110.912 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -99.98 -38.21 8.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 74.11 110.867 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 27.2 p80 -50.67 -23.68 2.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 71.11 110.903 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.46 ' O ' HG23 ' A' ' 9' ' ' VAL . 33.0 m-85 -58.44 -16.26 14.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 75.15 110.882 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.465 ' CD1' ' N ' ' A' ' 6' ' ' HIS . 1.0 OUTLIER -66.59 -35.53 80.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.114 -0.493 . . . . 72.21 110.904 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.465 ' N ' ' CD1' ' A' ' 5' ' ' TRP . 0.1 OUTLIER -111.55 -38.74 4.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.226 -0.443 . . . . 54.31 110.837 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.524 ' O ' HG22 ' A' ' 10' ' ' THR . 3.4 mmt180 -71.15 -65.7 0.71 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 53.45 110.883 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.428 ' H ' ' HA ' ' A' ' 4' ' ' PHE . . . -57.52 -19.88 35.93 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.73 -0.747 . . . . 75.2 112.501 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 4' ' ' PHE . 47.2 t -91.5 -13.43 8.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.906 0.384 . . . . 73.12 111.132 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.818 HG23 HD23 ' A' ' 14' ' ' LEU . 1.7 t -59.25 -14.27 10.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 74.21 111.167 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.7 pttt -51.17 -41.39 60.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 64.45 110.913 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -83.73 -18.62 37.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 75.13 110.877 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.37 -18.13 32.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 64.45 110.853 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.818 HD23 HG23 ' A' ' 10' ' ' THR . 4.5 pp -99.69 -31.56 11.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 63.31 110.897 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.52 ' N ' ' HD2' ' A' ' 16' ' ' PRO . 0.0 OUTLIER -29.58 -59.01 0.27 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.632 0.73 . . . . 61.54 110.817 -179.896 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.52 ' HD2' ' N ' ' A' ' 15' ' ' SER . 53.2 Cg_endo -69.79 57.23 1.47 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.706 2.271 . . . . 74.24 112.282 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -139.97 -168.66 2.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.448 . . . . 74.1 110.835 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 9.9 mtt180 -48.18 105.66 0.52 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.621 0.724 . . . . 70.31 110.917 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.436 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 54.5 Cg_endo -69.72 -1.95 9.31 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.693 2.262 . . . . 73.32 112.38 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -60.49 -67.99 0.34 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 73.1 110.908 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.4 ' H ' ' CD2' ' A' ' 21' ' ' HIS . 0.4 OUTLIER -86.42 -13.51 46.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 74.31 110.843 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.436 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 0.7 OUTLIER -49.47 -24.76 2.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 63.23 110.857 -179.781 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 18.7 mtm180 -68.48 -29.24 67.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.092 -0.503 . . . . 75.21 110.891 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -98.25 -13.34 20.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 75.52 110.924 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -91.28 -35.78 14.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 73.44 110.919 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 75.24 110.9 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.92 0.39 . . . . 74.02 110.872 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -100.07 -37.86 8.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.111 -0.495 . . . . 62.03 110.934 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -50.96 -23.29 2.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.117 -0.492 . . . . 70.24 110.832 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.47 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.1 OUTLIER -58.91 -16.05 15.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 74.35 110.882 -179.912 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.456 ' CD1' ' N ' ' A' ' 6' ' ' HIS . 1.0 OUTLIER -66.65 -35.37 80.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 75.42 110.88 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.456 ' N ' ' CD1' ' A' ' 5' ' ' TRP . 6.1 t-160 -111.44 -38.98 4.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.271 -0.422 . . . . 73.14 110.808 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.498 ' O ' HG22 ' A' ' 10' ' ' THR . 3.3 mmp_? -71.35 -65.52 0.74 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 61.34 110.939 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.443 ' H ' ' HA ' ' A' ' 4' ' ' PHE . . . -57.37 -19.86 34.73 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.732 -0.747 . . . . 74.4 112.457 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 4' ' ' PHE . 47.8 t -91.42 -13.65 8.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.926 0.393 . . . . 63.51 111.13 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.683 HG23 HD23 ' A' ' 14' ' ' LEU . 2.7 t -54.18 -19.67 5.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 71.22 111.117 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.415 ' HA ' HD21 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -53.9 -41.49 67.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 74.4 110.92 179.9 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -81.93 -22.65 36.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 72.33 110.89 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.9 t -83.15 -19.15 37.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 75.42 110.876 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.683 HD23 HG23 ' A' ' 10' ' ' THR . 4.3 pp -100.4 -29.96 12.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 73.45 110.928 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.517 ' N ' ' HD2' ' A' ' 16' ' ' PRO . 0.7 OUTLIER -29.53 -58.69 0.27 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.669 0.747 . . . . 65.25 110.82 -179.913 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' A' ' 15' ' ' SER . 53.3 Cg_endo -69.8 56.25 1.38 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.636 2.224 . . . . 65.11 112.353 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -137.74 -167.89 2.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 72.33 110.85 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.67 105.41 0.49 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.606 0.717 . . . . 73.01 110.857 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.453 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 53.8 Cg_endo -69.77 -1.45 8.5 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.665 2.244 . . . . 71.11 112.361 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.3 mtt180 -59.31 -68.46 0.27 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 74.11 110.86 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.512 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 0.4 OUTLIER -86.28 -15.19 41.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 64.24 110.886 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.453 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 0.3 OUTLIER -48.64 -22.28 0.74 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 71.41 110.878 -179.774 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.3 mmm-85 -62.87 -32.21 73.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 74.51 110.856 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.594 ' C ' HD12 ' A' ' 24' ' ' LEU . 3.0 pp -98.96 -12.14 20.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.177 -0.465 . . . . 71.12 110.891 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.595 ' NE2' HD11 ' A' ' 14' ' ' LEU . 0.7 OUTLIER -89.27 -39.03 13.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 44.53 110.906 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 64.54 110.834 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 43.7 p90 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.925 0.393 . . . . 75.22 110.897 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -99.86 -38.74 8.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 74.33 110.927 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -51.99 -20.04 2.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.09 -0.505 . . . . 75.24 110.871 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.459 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.1 OUTLIER -61.11 -15.57 34.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 54.33 110.89 -179.913 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.456 ' CD1' ' N ' ' A' ' 6' ' ' HIS . 1.0 OUTLIER -66.89 -35.93 81.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.12 -0.491 . . . . 75.4 110.91 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.456 ' N ' ' CD1' ' A' ' 5' ' ' TRP . 3.0 t60 -110.85 -37.9 5.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 63.11 110.84 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.482 ' O ' HG22 ' A' ' 10' ' ' THR . 6.1 mmt180 -71.86 -65.97 0.7 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 74.42 110.875 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.42 ' H ' ' HA ' ' A' ' 4' ' ' PHE . . . -57.52 -20.64 38.94 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.753 -0.737 . . . . 72.12 112.47 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 4' ' ' PHE . 46.6 t -91.26 -13.32 9.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.893 0.378 . . . . 71.01 111.152 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.78 HG23 HD23 ' A' ' 14' ' ' LEU . 1.7 t -56.59 -16.61 6.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 75.52 111.128 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.435 ' HA ' HD21 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -50.79 -40.85 56.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 72.44 110.867 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.83 -20.77 32.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 70.03 110.832 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.1 t -83.59 -18.61 37.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.429 . . . . 44.05 110.845 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.78 HD23 HG23 ' A' ' 10' ' ' THR . 4.2 pp -100.02 -30.53 11.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 72.21 110.953 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.543 ' N ' ' HD2' ' A' ' 16' ' ' PRO . 0.0 OUTLIER -30.39 -57.63 0.32 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.639 0.733 . . . . 73.32 110.834 -179.905 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.543 ' HD2' ' N ' ' A' ' 15' ' ' SER . 53.5 Cg_endo -69.8 55.44 1.29 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.707 2.272 . . . . 72.35 112.323 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -137.37 -167.25 2.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 73.33 110.864 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.34 105.25 0.47 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.576 0.703 . . . . 73.15 110.879 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.472 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 54.0 Cg_endo -69.71 -1.75 8.97 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.74 2.294 . . . . 65.53 112.332 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.4 mtm180 -60.24 -68.59 0.28 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 74.41 110.9 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.43 ' CD2' ' H ' ' A' ' 21' ' ' HIS . 0.4 OUTLIER -86.52 -14.07 44.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 75.22 110.855 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.472 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 0.3 OUTLIER -48.17 -25.19 1.39 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.26 -0.427 . . . . 72.24 110.854 -179.808 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -62.61 -32.08 73.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 74.33 110.84 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -96.31 -13.54 23.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 61.41 110.924 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.621 ' NE2' HD11 ' A' ' 14' ' ' LEU . 0.9 OUTLIER -89.11 -36.43 15.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 63.51 110.913 179.913 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 70.33 110.886 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 19.0 p90 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.887 0.375 . . . . 64.01 110.952 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -100.01 -37.99 8.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.12 -0.491 . . . . 65.5 110.909 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -52.26 -19.88 2.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 71.11 110.86 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.457 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.3 OUTLIER -61.0 -15.67 34.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 72.43 110.884 -179.927 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.455 ' CD1' ' N ' ' A' ' 6' ' ' HIS . 1.0 OUTLIER -66.92 -35.74 80.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.126 -0.488 . . . . 71.4 110.91 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.455 ' N ' ' CD1' ' A' ' 5' ' ' TRP . 0.2 OUTLIER -110.94 -38.14 5.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 65.23 110.854 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.494 ' O ' HG22 ' A' ' 10' ' ' THR . 9.4 mmp_? -71.72 -65.99 0.69 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 65.5 110.898 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.418 ' H ' ' HA ' ' A' ' 4' ' ' PHE . . . -57.42 -20.41 37.26 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.762 -0.732 . . . . 70.42 112.471 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 4' ' ' PHE . 46.4 t -91.44 -13.47 8.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.916 0.388 . . . . 62.44 111.154 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.726 HG23 HD23 ' A' ' 14' ' ' LEU . 2.1 t -55.04 -18.72 5.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 74.01 111.168 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.42 ' HA ' HD21 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -54.47 -41.71 69.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 75.35 110.858 179.888 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -82.19 -20.86 36.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.287 -0.415 . . . . 71.3 110.872 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -85.52 -18.59 33.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 62.14 110.849 -179.751 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.726 HD23 HG23 ' A' ' 10' ' ' THR . 4.2 pp -100.49 -30.07 12.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 64.43 110.969 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.522 ' N ' ' HD2' ' A' ' 16' ' ' PRO . 0.0 OUTLIER -29.31 -58.91 0.26 Allowed Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.707 0.765 . . . . 72.41 110.88 -179.92 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.522 ' HD2' ' N ' ' A' ' 15' ' ' SER . 53.4 Cg_endo -69.78 56.12 1.36 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.687 2.258 . . . . 65.11 112.351 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -137.11 -168.35 2.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 72.53 110.85 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -47.63 105.29 0.47 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.612 0.72 . . . . 73.22 110.88 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.452 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 54.0 Cg_endo -69.77 -0.39 6.85 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.67 2.246 . . . . 72.4 112.333 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.3 ttt180 -61.25 -66.46 0.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 63.3 110.877 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.512 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 0.4 OUTLIER -87.71 -14.45 39.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 75.14 110.879 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.452 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 0.4 OUTLIER -49.28 -21.89 0.94 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 64.42 110.852 -179.799 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -63.81 -32.11 73.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 74.01 110.845 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.601 ' C ' HD12 ' A' ' 24' ' ' LEU . 3.0 pp -99.29 -12.1 20.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 51.41 110.905 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.514 ' CD ' HD11 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -89.19 -38.8 14.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 53.5 110.913 179.93 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.7 ttm180 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 74.03 110.824 -179.886 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.905 0.384 . . . . 72.22 110.928 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -100.09 -37.73 8.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 75.33 110.951 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -52.23 -19.94 2.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 73.01 110.799 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.459 ' O ' HG23 ' A' ' 9' ' ' VAL . 4.1 m-85 -61.08 -15.64 35.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 72.52 110.831 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.458 ' CD1' ' N ' ' A' ' 6' ' ' HIS . 1.0 OUTLIER -66.88 -35.8 80.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.158 -0.474 . . . . 75.3 110.928 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.458 ' N ' ' CD1' ' A' ' 5' ' ' TRP . 1.0 OUTLIER -110.9 -38.15 5.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 72.14 110.887 179.937 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.529 ' O ' HG22 ' A' ' 10' ' ' THR . 4.1 mmp_? -71.75 -65.84 0.71 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 74.22 110.904 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.418 ' H ' ' HA ' ' A' ' 4' ' ' PHE . . . -57.57 -20.21 37.6 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.755 -0.736 . . . . 61.45 112.461 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 4' ' ' PHE . 46.6 t -91.65 -13.3 8.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.878 0.371 . . . . 73.24 111.124 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.828 HG23 HD23 ' A' ' 14' ' ' LEU . 1.6 t -59.05 -14.44 9.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 54.5 111.196 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.402 ' HA ' HD21 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -51.14 -41.27 59.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 71.03 110.924 179.859 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -83.87 -19.08 35.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 74.13 110.857 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -85.82 -18.16 33.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 64.45 110.864 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.828 HD23 HG23 ' A' ' 10' ' ' THR . 4.5 pp -99.67 -31.72 11.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.1 -0.5 . . . . 61.22 110.955 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.521 ' N ' ' HD2' ' A' ' 16' ' ' PRO . 0.0 OUTLIER -29.46 -58.89 0.26 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.632 0.73 . . . . 73.33 110.836 -179.916 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.521 ' HD2' ' N ' ' A' ' 15' ' ' SER . 53.2 Cg_endo -69.82 57.06 1.47 Allowed 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.697 2.264 . . . . 65.14 112.335 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -140.08 -169.12 2.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 74.12 110.859 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.4 mtp85 -48.38 105.55 0.51 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.556 0.693 . . . . 63.45 110.862 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.423 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 53.7 Cg_endo -69.77 -1.4 8.42 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.668 2.246 . . . . 64.23 112.337 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.46 ' HG3' ' N ' ' A' ' 21' ' ' HIS . 0.2 OUTLIER -61.76 -65.45 0.69 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 55.02 110.896 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.46 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -88.74 -13.0 40.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.145 -0.48 . . . . 74.33 110.852 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.423 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 1.1 t -49.88 -24.54 2.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 54.25 110.874 -179.758 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 52.0 mtt180 -70.65 -28.63 64.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 73.25 110.858 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -98.54 -13.91 20.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 74.34 110.927 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -89.3 -38.53 14.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 72.5 110.9 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 74.32 110.887 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.964 0.411 . . . . 71.21 110.922 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -100.05 -37.8 8.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.087 -0.506 . . . . 74.31 110.919 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 3.8 p-80 -50.98 -23.35 2.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 74.22 110.847 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.464 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.6 OUTLIER -58.85 -16.08 15.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 64.35 110.859 -179.932 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.457 ' CD1' ' N ' ' A' ' 6' ' ' HIS . 1.0 OUTLIER -66.61 -35.44 80.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 74.42 110.921 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.457 ' N ' ' CD1' ' A' ' 5' ' ' TRP . 1.2 t60 -111.42 -38.92 4.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 64.13 110.871 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.48 ' O ' HG22 ' A' ' 10' ' ' THR . 0.2 OUTLIER -71.37 -65.61 0.73 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 71.22 110.868 -179.893 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.443 ' H ' ' HA ' ' A' ' 4' ' ' PHE . . . -57.28 -20.01 34.71 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.721 -0.752 . . . . 74.52 112.515 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 4' ' ' PHE . 46.8 t -91.44 -13.28 8.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.87 0.367 . . . . 71.23 111.122 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.636 HG23 HD23 ' A' ' 14' ' ' LEU . 3.5 t -52.01 -21.18 2.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 73.33 111.149 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.423 ' HA ' HD21 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -51.33 -40.6 59.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 73.23 110.912 179.864 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.2 -21.04 36.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 75.32 110.883 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -85.15 -18.45 34.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 51.31 110.889 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.636 HD23 HG23 ' A' ' 10' ' ' THR . 4.5 pp -100.4 -31.91 11.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.092 -0.504 . . . . 73.11 110.891 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.522 ' N ' ' HD2' ' A' ' 16' ' ' PRO . 0.0 OUTLIER -29.32 -59.01 0.25 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.631 0.729 . . . . 73.11 110.822 -179.936 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.522 ' HD2' ' N ' ' A' ' 15' ' ' SER . 53.7 Cg_endo -69.76 57.17 1.46 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.703 2.269 . . . . 71.41 112.353 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -140.13 -169.01 2.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 75.25 110.783 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.4 mtt-85 -48.3 105.52 0.51 Allowed Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.586 0.708 . . . . 72.23 110.913 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.429 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 54.0 Cg_endo -69.72 -1.31 8.22 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.693 2.262 . . . . 72.24 112.374 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.463 ' HG3' ' N ' ' A' ' 21' ' ' HIS . 0.2 OUTLIER -61.77 -65.54 0.67 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 74.25 110.87 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.463 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -88.75 -12.96 40.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.458 . . . . 74.41 110.827 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.429 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 1.0 OUTLIER -49.89 -24.64 2.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 71.35 110.842 -179.791 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.9 mtm180 -70.33 -28.76 65.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 64.1 110.905 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -98.51 -13.83 20.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 63.24 110.925 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -89.43 -38.59 13.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 62.14 110.862 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 60.52 110.86 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.877 0.37 . . . . 72.42 110.876 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -50.46 -40.26 50.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.113 -0.494 . . . . 75.11 110.934 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -49.9 -24.01 2.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 74.41 110.848 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.462 ' O ' HG23 ' A' ' 9' ' ' VAL . 22.7 t80 -58.36 -16.34 14.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 62.51 110.9 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.466 ' CD1' ' N ' ' A' ' 6' ' ' HIS . 1.0 OUTLIER -66.49 -35.48 80.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 72.02 110.883 -179.925 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.466 ' N ' ' CD1' ' A' ' 5' ' ' TRP . 2.7 t-80 -111.21 -39.03 4.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 74.24 110.83 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.522 ' O ' HG22 ' A' ' 10' ' ' THR . 3.4 mmp_? -71.39 -65.57 0.73 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 73.2 110.895 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.429 ' H ' ' HA ' ' A' ' 4' ' ' PHE . . . -57.41 -19.91 35.27 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.738 -0.744 . . . . 30.44 112.495 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 4' ' ' PHE . 47.3 t -91.5 -13.44 8.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.908 0.385 . . . . 73.5 111.141 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.813 HG23 HD23 ' A' ' 14' ' ' LEU . 1.6 t -59.35 -14.23 11.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 73.44 111.174 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.24 -41.36 60.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 54.23 110.898 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -83.68 -18.43 38.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 73.43 110.888 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.7 -18.05 32.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 52.33 110.848 -179.826 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.813 HD23 HG23 ' A' ' 10' ' ' THR . 4.5 pp -99.69 -31.59 11.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.135 -0.484 . . . . 71.54 110.927 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.515 ' N ' ' HD2' ' A' ' 16' ' ' PRO . 0.0 OUTLIER -29.37 -58.94 0.26 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.634 0.731 . . . . 75.3 110.895 -179.927 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.515 ' HD2' ' N ' ' A' ' 15' ' ' SER . 53.6 Cg_endo -69.78 56.98 1.45 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.705 2.27 . . . . 74.21 112.341 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -139.63 -168.92 2.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 74.25 110.835 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.3 mtt180 -48.11 105.59 0.51 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.573 0.701 . . . . 71.43 110.851 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.437 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 53.9 Cg_endo -69.8 -1.2 8.1 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.656 2.237 . . . . 73.42 112.359 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.8 ttm180 -61.88 -66.19 0.58 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 64.21 110.888 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -87.63 -13.44 42.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 74.41 110.866 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.437 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 0.9 OUTLIER -49.87 -24.44 2.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 74.31 110.824 -179.756 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.5 mtm180 -69.7 -28.88 66.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.481 . . . . 72.32 110.881 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -98.4 -13.93 20.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 75.1 110.883 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -90.26 -36.71 14.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 71.22 110.93 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 73.42 110.855 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.878 0.371 . . . . 74.32 110.93 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -99.92 -38.74 8.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 74.2 110.916 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -51.99 -20.09 2.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.49 . . . . 63.44 110.856 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.465 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.2 OUTLIER -61.09 -15.61 34.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 63.11 110.877 -179.923 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.457 ' CD1' ' N ' ' A' ' 6' ' ' HIS . 1.0 OUTLIER -66.96 -35.81 80.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.144 -0.48 . . . . 60.14 110.917 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.457 ' N ' ' CD1' ' A' ' 5' ' ' TRP . 2.3 t60 -111.01 -38.09 5.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 63.41 110.865 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.501 ' O ' HG22 ' A' ' 10' ' ' THR . 4.8 mmm180 -71.73 -65.89 0.7 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 75.31 110.906 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.433 ' H ' ' HA ' ' A' ' 4' ' ' PHE . . . -57.47 -20.32 37.31 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.709 -0.758 . . . . 33.34 112.487 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 4' ' ' PHE . 46.5 t -91.46 -13.38 8.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.909 0.385 . . . . 75.33 111.102 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.722 HG23 HD23 ' A' ' 14' ' ' LEU . 2.2 t -55.17 -18.61 6.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 73.11 111.165 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.418 ' HA ' HD21 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -55.16 -41.78 72.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 74.44 110.896 179.891 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -82.28 -21.32 36.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 64.11 110.918 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -85.18 -18.35 34.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 74.54 110.844 -179.785 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.722 HD23 HG23 ' A' ' 10' ' ' THR . 4.5 pp -100.24 -31.72 11.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 71.24 110.92 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.522 ' N ' ' HD2' ' A' ' 16' ' ' PRO . 0.0 OUTLIER -29.29 -58.99 0.25 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.692 0.758 . . . . 52.11 110.835 -179.895 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.522 ' HD2' ' N ' ' A' ' 15' ' ' SER . 54.0 Cg_endo -69.8 56.99 1.46 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.674 2.25 . . . . 74.22 112.312 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -139.56 -168.84 2.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 75.51 110.833 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 9.9 mmm180 -48.07 105.55 0.51 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.603 0.716 . . . . 65.14 110.893 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.421 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 53.7 Cg_endo -69.75 -1.18 8.03 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.684 2.256 . . . . 63.01 112.347 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.448 ' NH2' HD11 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -61.56 -65.71 0.65 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 73.33 110.871 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.445 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -88.65 -13.35 40.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 73.31 110.86 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.421 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 0.9 OUTLIER -49.72 -24.62 2.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 62.42 110.877 -179.758 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 13.0 mtt-85 -69.6 -28.9 66.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.114 -0.494 . . . . 74.51 110.82 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.448 HD11 ' NH2' ' A' ' 20' ' ' ARG . 0.6 OUTLIER -98.36 -13.38 20.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 71.43 110.899 -179.919 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -91.21 -35.85 14.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 73.41 110.908 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 75.41 110.917 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 81.2 t80 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.892 0.377 . . . . 65.22 110.921 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -99.77 -37.7 8.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.096 -0.502 . . . . 74.14 110.938 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 3.6 p-80 -50.92 -23.29 2.75 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.129 -0.487 . . . . 73.54 110.865 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.455 ' O ' HG23 ' A' ' 9' ' ' VAL . 5.5 t80 -58.77 -16.25 15.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 73.42 110.896 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.466 ' CD1' ' N ' ' A' ' 6' ' ' HIS . 1.0 OUTLIER -66.38 -35.55 80.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 70.11 110.943 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.466 ' N ' ' CD1' ' A' ' 5' ' ' TRP . 59.0 t-80 -111.26 -38.93 4.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.456 . . . . 55.41 110.885 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.496 ' O ' HG22 ' A' ' 10' ' ' THR . 0.2 OUTLIER -71.22 -65.74 0.71 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 74.52 110.833 -179.869 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.434 ' H ' ' HA ' ' A' ' 4' ' ' PHE . . . -57.42 -19.91 35.33 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.722 -0.752 . . . . 74.13 112.521 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 4' ' ' PHE . 47.6 t -91.41 -13.23 9.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.932 0.396 . . . . 62.3 111.152 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.763 HG23 HD23 ' A' ' 14' ' ' LEU . 1.7 t -58.14 -15.48 9.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 73.0 111.124 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.09 -41.32 59.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 52.34 110.867 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.96 -18.52 36.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 73.52 110.874 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 10.2 t -86.19 -18.26 32.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 64.51 110.862 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.763 HD23 HG23 ' A' ' 10' ' ' THR . 4.2 pp -99.87 -29.88 12.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 72.32 110.898 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.519 ' N ' ' HD2' ' A' ' 16' ' ' PRO . 0.0 OUTLIER -29.8 -58.79 0.28 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.611 0.72 . . . . 64.53 110.862 -179.918 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.519 ' HD2' ' N ' ' A' ' 15' ' ' SER . 53.8 Cg_endo -69.82 56.3 1.39 Allowed 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.681 2.254 . . . . 74.43 112.338 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -137.13 -167.95 2.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.433 . . . . 72.13 110.874 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.2 mtm180 -47.62 105.52 0.5 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.632 0.729 . . . . 72.01 110.832 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.458 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 53.5 Cg_endo -69.76 -1.52 8.6 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.716 2.277 . . . . 61.54 112.301 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -59.34 -68.31 0.29 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 74.13 110.84 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.513 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 0.4 OUTLIER -86.52 -15.11 41.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 70.1 110.852 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.458 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 0.3 OUTLIER -48.52 -22.3 0.71 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.443 . . . . 42.11 110.825 -179.766 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.1 mtm180 -62.13 -32.3 72.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 61.02 110.901 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.581 ' C ' HD12 ' A' ' 24' ' ' LEU . 3.0 pp -98.7 -12.09 21.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 74.23 110.924 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.632 ' NE2' HD11 ' A' ' 14' ' ' LEU . 1.1 tp60 -89.59 -36.9 15.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 72.23 110.9 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 73.31 110.891 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.871 0.367 . . . . 75.45 110.923 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -100.01 -37.84 8.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.123 -0.49 . . . . 74.13 110.912 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 3.9 p-80 -50.88 -23.33 2.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 71.44 110.89 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.463 ' O ' HG23 ' A' ' 9' ' ' VAL . 9.8 m-85 -58.75 -16.16 15.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 62.13 110.88 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.461 ' CD1' ' N ' ' A' ' 6' ' ' HIS . 1.0 OUTLIER -66.57 -35.57 80.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 74.43 110.934 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.461 ' N ' ' CD1' ' A' ' 5' ' ' TRP . 0.2 OUTLIER -111.3 -38.69 4.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 73.41 110.881 179.938 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.463 ' O ' HG22 ' A' ' 10' ' ' THR . 0.2 OUTLIER -71.38 -65.73 0.71 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 72.11 110.868 -179.93 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.433 ' H ' ' HA ' ' A' ' 4' ' ' PHE . . . -57.42 -20.24 36.62 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.711 -0.756 . . . . 54.11 112.49 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 4' ' ' PHE . 46.9 t -91.31 -13.36 9.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.849 0.357 . . . . 65.44 111.113 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.657 HG23 HD23 ' A' ' 14' ' ' LEU . 2.9 t -52.28 -19.72 2.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 53.34 111.116 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.84 -40.79 61.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 74.32 110.908 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -83.21 -17.02 44.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 70.45 110.86 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -89.73 -18.01 27.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 61.14 110.876 -179.803 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.657 HD23 HG23 ' A' ' 10' ' ' THR . 4.4 pp -99.58 -30.92 11.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.104 -0.498 . . . . 72.32 110.909 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.53 ' N ' ' HD2' ' A' ' 16' ' ' PRO . 0.0 OUTLIER -30.03 -58.43 0.29 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.668 0.747 . . . . 62.41 110.85 -179.934 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.53 ' HD2' ' N ' ' A' ' 15' ' ' SER . 53.9 Cg_endo -69.72 56.03 1.32 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.628 2.219 . . . . 75.05 112.361 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -137.14 -167.88 2.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.238 -0.437 . . . . 73.54 110.867 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.9 mtm180 -47.46 105.46 0.49 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.613 0.72 . . . . 73.21 110.859 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.46 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 53.7 Cg_endo -69.73 -1.43 8.44 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.705 2.27 . . . . 61.0 112.323 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.1 mtt-85 -59.08 -68.45 0.27 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 71.55 110.906 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.504 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 0.4 OUTLIER -86.37 -15.48 40.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 73.52 110.848 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.46 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 0.3 OUTLIER -48.29 -22.36 0.66 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 71.24 110.852 -179.757 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.8 mtt85 -61.4 -32.37 72.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 61.53 110.849 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.583 ' C ' HD12 ' A' ' 24' ' ' LEU . 3.0 pp -98.27 -11.96 22.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 62.1 110.931 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.604 ' NE2' HD11 ' A' ' 14' ' ' LEU . 1.0 OUTLIER -89.41 -36.81 15.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 73.44 110.916 179.908 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 64.4 110.842 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.963 0.411 . . . . 65.24 110.902 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -100.03 -37.77 8.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.104 -0.498 . . . . 71.22 110.904 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -50.93 -23.34 2.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 73.44 110.831 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.467 ' O ' HG23 ' A' ' 9' ' ' VAL . 5.1 t80 -58.9 -16.07 15.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 73.12 110.875 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.462 ' CD1' ' N ' ' A' ' 6' ' ' HIS . 1.0 OUTLIER -66.54 -35.48 80.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.147 -0.479 . . . . 73.32 110.985 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.462 ' N ' ' CD1' ' A' ' 5' ' ' TRP . 4.5 m170 -111.37 -38.83 4.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 71.3 110.881 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.52 ' O ' HG22 ' A' ' 10' ' ' THR . 2.2 mmt-85 -71.47 -65.56 0.74 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.444 . . . . 72.25 110.906 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.427 ' H ' ' HA ' ' A' ' 4' ' ' PHE . . . -57.39 -19.96 35.31 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.732 -0.747 . . . . 44.23 112.467 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 4' ' ' PHE . 47.5 t -91.51 -13.39 8.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.88 0.371 . . . . 73.4 111.119 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.808 HG23 HD23 ' A' ' 14' ' ' LEU . 1.6 t -59.4 -14.18 11.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 61.11 111.113 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.28 -41.39 60.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 73.24 110.914 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -83.67 -18.64 37.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 71.01 110.888 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.27 -18.27 32.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 74.53 110.902 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.808 HD23 HG23 ' A' ' 10' ' ' THR . 4.3 pp -99.98 -29.76 12.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 72.01 110.894 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.521 ' N ' ' HD2' ' A' ' 16' ' ' PRO . 0.0 OUTLIER -29.66 -58.96 0.27 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.644 0.735 . . . . 75.41 110.842 -179.907 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.521 ' HD2' ' N ' ' A' ' 15' ' ' SER . 53.7 Cg_endo -69.78 56.34 1.38 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.654 2.236 . . . . 72.42 112.364 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -137.22 -167.98 2.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.184 -0.462 . . . . 72.12 110.891 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.8 mtp180 -47.66 105.47 0.49 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.642 0.734 . . . . 74.23 110.874 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.453 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 53.3 Cg_endo -69.82 -1.29 8.27 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.664 2.243 . . . . 74.4 112.329 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.1 mtp85 -59.21 -68.42 0.28 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 73.12 110.866 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.505 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 0.4 OUTLIER -86.48 -15.35 40.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 71.43 110.805 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.453 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 0.3 OUTLIER -48.14 -22.55 0.65 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 70.12 110.834 -179.774 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.49 -33.46 73.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 62.43 110.836 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.581 ' C ' HD12 ' A' ' 24' ' ' LEU . 3.1 pp -97.76 -11.89 22.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.259 -0.428 . . . . 54.33 110.913 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.63 ' NE2' HD11 ' A' ' 14' ' ' LEU . 1.1 tp60 -89.4 -36.76 15.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 73.45 110.872 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 74.4 110.893 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 44.4 m-85 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.886 0.374 . . . . 70.35 110.923 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -100.08 -37.68 8.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.109 -0.496 . . . . 61.32 110.89 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -52.29 -19.86 2.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 71.23 110.864 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.461 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.2 OUTLIER -61.01 -15.7 34.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 73.22 110.904 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.457 ' CD1' ' N ' ' A' ' 6' ' ' HIS . 1.0 OUTLIER -66.92 -35.72 80.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.482 . . . . 74.42 110.928 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.457 ' N ' ' CD1' ' A' ' 5' ' ' TRP . 0.2 OUTLIER -110.92 -38.23 5.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 71.21 110.847 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.501 ' O ' HG22 ' A' ' 10' ' ' THR . 8.8 mmm180 -71.77 -65.87 0.71 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 73.31 110.855 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.432 ' H ' ' HA ' ' A' ' 4' ' ' PHE . . . -57.52 -20.18 37.12 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.688 -0.768 . . . . 73.24 112.474 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 4' ' ' PHE . 46.8 t -91.51 -13.45 8.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.925 0.393 . . . . 72.04 111.101 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.727 HG23 HD23 ' A' ' 14' ' ' LEU . 2.2 t -55.0 -18.75 5.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 73.42 111.154 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.429 ' HA ' HD21 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -54.64 -41.72 70.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 71.5 110.942 179.872 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -82.25 -21.13 36.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 73.01 110.899 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -85.2 -18.45 34.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 54.03 110.882 -179.82 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.727 HD23 HG23 ' A' ' 10' ' ' THR . 4.4 pp -100.27 -31.17 11.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 71.44 110.926 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.522 ' N ' ' HD2' ' A' ' 16' ' ' PRO . 0.0 OUTLIER -28.4 -58.94 0.23 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.683 0.754 . . . . 72.4 110.876 -179.942 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.522 ' HD2' ' N ' ' A' ' 15' ' ' SER . 53.8 Cg_endo -69.74 58.28 1.54 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.689 2.259 . . . . 62.23 112.316 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -142.87 -168.97 2.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.434 . . . . 73.12 110.852 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.26 106.1 0.57 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.557 0.694 . . . . 75.25 110.905 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.404 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 53.7 Cg_endo -69.79 -0.87 7.56 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.705 2.27 . . . . 73.2 112.338 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.448 ' HG3' ' N ' ' A' ' 21' ' ' HIS . 0.2 OUTLIER -61.57 -65.06 0.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 71.54 110.881 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.692 ' HB2' HD11 ' A' ' 24' ' ' LEU . 0.4 OUTLIER -89.07 -12.66 40.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 75.13 110.879 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.404 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 0.9 OUTLIER -52.54 -21.07 3.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 62.25 110.896 -179.842 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.9 mtt180 -78.02 -27.9 49.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.084 -0.507 . . . . 62.32 110.89 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.692 HD11 ' HB2' ' A' ' 21' ' ' HIS . 3.3 pp -101.99 -12.01 18.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.479 . . . . 64.33 110.955 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.517 ' N ' HD12 ' A' ' 24' ' ' LEU . 1.1 tp60 -90.38 -37.19 14.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 70.35 110.937 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 71.21 110.868 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.885 0.374 . . . . 71.35 110.888 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -100.07 -38.01 8.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.106 -0.497 . . . . 75.13 110.887 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -52.25 -19.87 2.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 73.14 110.862 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.465 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.2 OUTLIER -61.04 -15.62 34.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 75.55 110.922 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.455 ' CD1' ' N ' ' A' ' 6' ' ' HIS . 1.0 OUTLIER -66.99 -35.75 80.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.109 -0.496 . . . . 74.53 110.91 -179.922 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.455 ' N ' ' CD1' ' A' ' 5' ' ' TRP . 6.2 m170 -110.96 -38.14 5.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 74.25 110.876 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.505 ' O ' HG22 ' A' ' 10' ' ' THR . 22.7 mmm180 -71.76 -65.89 0.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 73.23 110.91 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.423 ' H ' ' HA ' ' A' ' 4' ' ' PHE . . . -57.51 -20.38 37.8 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.711 -0.757 . . . . 75.51 112.461 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 4' ' ' PHE . 46.3 t -91.45 -13.43 8.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.929 0.395 . . . . 72.45 111.12 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.765 HG23 HD23 ' A' ' 14' ' ' LEU . 1.9 t -55.9 -17.87 7.57 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.198 -0.456 . . . . 73.51 111.141 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.42 ' HA ' HD21 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -55.34 -41.7 72.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 65.31 110.916 179.863 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -82.83 -19.26 37.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 72.13 110.903 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -88.24 -18.04 29.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 71.42 110.82 -179.812 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.765 HD23 HG23 ' A' ' 10' ' ' THR . 4.3 pp -99.7 -30.72 11.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.18 -0.464 . . . . 53.55 110.941 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.533 ' N ' ' HD2' ' A' ' 16' ' ' PRO . 0.1 OUTLIER -29.8 -58.22 0.29 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.664 0.745 . . . . 61.0 110.85 -179.906 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.533 ' HD2' ' N ' ' A' ' 15' ' ' SER . 54.0 Cg_endo -69.76 55.88 1.32 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.679 2.253 . . . . 74.03 112.348 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -137.12 -168.35 2.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 54.13 110.818 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 37.7 mtt180 -47.5 105.29 0.47 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.588 0.708 . . . . 70.2 110.863 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.441 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 54.5 Cg_endo -69.72 -0.34 6.74 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.701 2.268 . . . . 72.45 112.372 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.24 -66.45 0.53 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 71.35 110.842 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.509 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 0.4 OUTLIER -87.74 -14.58 39.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 71.5 110.847 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.441 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 0.4 OUTLIER -49.2 -21.9 0.89 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 51.33 110.825 -179.761 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.5 mmt85 -63.7 -32.09 73.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 53.45 110.878 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.595 ' C ' HD12 ' A' ' 24' ' ' LEU . 3.0 pp -99.29 -11.63 21.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 72.15 110.909 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.504 ' OE1' HD11 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -91.16 -35.98 14.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 74.3 110.882 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 73.02 110.831 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.887 0.375 . . . . 63.3 110.915 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -100.03 -37.23 9.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.111 -0.495 . . . . 63.12 110.927 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -51.73 -20.71 2.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 65.02 110.852 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.489 ' O ' HG23 ' A' ' 9' ' ' VAL . 3.4 m-85 -60.45 -14.15 17.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 64.21 110.909 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.457 ' CD1' ' N ' ' A' ' 6' ' ' HIS . 1.0 OUTLIER -69.29 -35.71 76.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.127 -0.488 . . . . 75.25 110.876 -179.917 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.457 ' N ' ' CD1' ' A' ' 5' ' ' TRP . 0.0 OUTLIER -112.07 -35.52 5.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 71.32 110.844 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.586 ' O ' HG22 ' A' ' 10' ' ' THR . 0.0 OUTLIER -89.65 -32.6 16.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 73.14 110.904 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -89.32 -15.55 58.61 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.742 -0.742 . . . . 55.22 112.495 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 4' ' ' PHE . 76.4 t -91.1 -20.44 6.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.927 0.394 . . . . 72.11 111.156 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.586 HG22 ' O ' ' A' ' 7' ' ' ARG . 14.7 t -57.82 -17.1 13.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 70.33 111.108 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.419 ' HA ' HD21 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -56.05 -42.32 76.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 72.44 110.94 179.898 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.6 ptm180 -82.21 -20.32 37.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 74.21 110.861 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -85.98 -18.39 32.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 63.13 110.875 -179.776 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.491 ' O ' ' C ' ' A' ' 15' ' ' SER . 4.5 pp -100.0 -32.57 10.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 75.43 110.908 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.542 ' N ' ' HD2' ' A' ' 16' ' ' PRO . 0.1 OUTLIER -29.88 -57.78 0.3 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.667 0.746 . . . . 73.43 110.865 -179.898 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.542 ' HD2' ' N ' ' A' ' 15' ' ' SER . 53.9 Cg_endo -69.75 56.33 1.37 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.699 2.266 . . . . 61.32 112.337 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -140.03 -167.86 2.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 65.21 110.871 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.429 ' HA ' ' HD2' ' A' ' 19' ' ' PRO . 0.4 OUTLIER -48.0 105.46 0.5 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.596 0.712 . . . . 72.23 110.901 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.443 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 53.4 Cg_endo -69.78 -2.02 9.48 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.699 2.266 . . . . 72.45 112.34 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.3 mtm180 -60.56 -68.22 0.32 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 72.25 110.846 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.417 ' CD2' ' H ' ' A' ' 21' ' ' HIS . 0.4 OUTLIER -86.4 -13.41 46.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 72.4 110.866 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.443 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 0.5 OUTLIER -49.54 -24.66 2.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 65.33 110.861 -179.801 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 73.2 mtt180 -68.77 -29.18 67.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.478 . . . . 72.21 110.879 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -98.16 -13.92 20.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 72.52 110.913 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -90.31 -36.75 14.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 64.23 110.913 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 71.23 110.848 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.935 0.397 . . . . 72.15 110.959 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -100.0 -37.86 8.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.116 -0.493 . . . . 74.35 110.905 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 3.8 p-80 -50.93 -23.35 2.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.101 -0.5 . . . . 74.14 110.859 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.467 ' O ' HG23 ' A' ' 9' ' ' VAL . 23.4 t80 -58.87 -16.04 15.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 74.24 110.909 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.464 ' CD1' ' N ' ' A' ' 6' ' ' HIS . 1.0 OUTLIER -66.61 -35.42 80.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.08 -0.509 . . . . 74.32 110.954 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.464 ' N ' ' CD1' ' A' ' 5' ' ' TRP . 22.7 t60 -111.45 -38.86 4.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.438 . . . . 63.14 110.865 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.507 ' O ' HG22 ' A' ' 10' ' ' THR . 0.2 OUTLIER -71.47 -65.57 0.74 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.43 . . . . 74.23 110.871 -179.931 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.431 ' H ' ' HA ' ' A' ' 4' ' ' PHE . . . -57.36 -19.85 34.63 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.742 -0.742 . . . . 45.23 112.481 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 4' ' ' PHE . 47.5 t -91.45 -13.35 8.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.933 0.397 . . . . 55.3 111.146 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.801 HG23 HD23 ' A' ' 14' ' ' LEU . 2.0 t -57.14 -15.97 6.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 71.53 111.154 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.425 ' HA ' HD21 ' A' ' 14' ' ' LEU . 3.4 pttt -50.59 -41.05 54.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 73.1 110.909 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -83.79 -21.06 32.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 72.24 110.896 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -83.35 -18.59 38.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 61.24 110.836 -179.772 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.801 HD23 HG23 ' A' ' 10' ' ' THR . 4.1 pp -100.18 -30.55 11.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 73.43 110.909 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.541 ' N ' ' HD2' ' A' ' 16' ' ' PRO . 0.0 OUTLIER -30.13 -57.68 0.31 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.702 0.763 . . . . 61.54 110.936 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.541 ' HD2' ' N ' ' A' ' 15' ' ' SER . 54.0 Cg_endo -69.73 55.29 1.25 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.64 2.227 . . . . 65.21 112.409 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -137.28 -167.52 2.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 74.31 110.865 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 9.6 mtp180 -47.26 105.11 0.45 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.629 0.728 . . . . 73.43 110.908 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.449 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 53.9 Cg_endo -69.72 -1.1 7.86 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.688 2.259 . . . . 72.44 112.354 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.46 ' HG3' ' N ' ' A' ' 21' ' ' HIS . 0.3 OUTLIER -61.55 -66.36 0.55 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 63.3 110.873 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.46 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -88.6 -13.43 39.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 55.42 110.908 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.449 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 0.5 OUTLIER -48.87 -24.91 1.63 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 63.42 110.868 -179.799 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 56.1 mtt180 -64.83 -30.5 71.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 64.43 110.891 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -97.79 -13.58 21.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 72.43 110.921 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.457 ' CD ' HD11 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -89.39 -38.2 14.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 63.0 110.897 179.915 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 71.22 110.858 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.925 0.393 . . . . 75.33 110.894 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -100.06 -37.87 8.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 74.13 110.93 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -50.95 -23.25 2.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.054 -0.521 . . . . 72.45 110.888 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.467 ' O ' HG23 ' A' ' 9' ' ' VAL . 1.7 t80 -58.93 -16.06 15.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 74.24 110.876 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.464 ' CD1' ' N ' ' A' ' 6' ' ' HIS . 1.0 OUTLIER -66.66 -35.44 80.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 74.34 110.915 -179.94 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.464 ' N ' ' CD1' ' A' ' 5' ' ' TRP . 14.9 t60 -111.31 -38.79 4.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.281 -0.418 . . . . 72.42 110.899 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.542 ' O ' HG22 ' A' ' 10' ' ' THR . 2.1 mmp_? -71.48 -65.66 0.73 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 63.0 110.892 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.426 ' H ' ' HA ' ' A' ' 4' ' ' PHE . . . -57.39 -19.97 35.34 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.727 -0.749 . . . . 74.15 112.475 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 4' ' ' PHE . 47.3 t -91.53 -13.46 8.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.859 0.361 . . . . 51.02 111.104 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.838 HG23 HD23 ' A' ' 14' ' ' LEU . 1.5 t -60.57 -13.37 13.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 61.41 111.163 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.42 ' HA ' HD21 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -50.1 -41.23 48.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 75.42 110.878 179.891 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.53 -20.1 32.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 71.41 110.883 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.8 t -83.86 -18.3 37.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 73.21 110.903 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.838 HD23 HG23 ' A' ' 10' ' ' THR . 4.3 pp -99.73 -30.46 12.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.087 -0.506 . . . . 75.02 110.907 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.542 ' N ' ' HD2' ' A' ' 16' ' ' PRO . 0.0 OUTLIER -29.95 -57.8 0.3 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.66 0.743 . . . . 72.1 110.839 -179.946 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.542 ' HD2' ' N ' ' A' ' 15' ' ' SER . 53.4 Cg_endo -69.82 55.24 1.28 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.691 2.26 . . . . 72.54 112.311 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -137.09 -167.39 2.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 75.01 110.892 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.6 mtt180 -47.44 105.17 0.46 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.637 0.732 . . . . 74.51 110.878 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.451 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 53.3 Cg_endo -69.73 -1.69 8.89 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.667 2.245 . . . . 75.33 112.361 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.5 mtm180 -59.13 -68.61 0.26 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 61.4 110.817 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.509 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 0.4 OUTLIER -86.36 -15.19 41.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 73.23 110.85 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.451 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 0.3 OUTLIER -48.52 -22.34 0.72 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 71.25 110.867 -179.771 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.41 -32.23 73.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.091 -0.504 . . . . 64.12 110.873 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.595 ' C ' HD12 ' A' ' 24' ' ' LEU . 2.9 pp -98.65 -11.99 21.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.439 . . . . 72.45 110.929 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.638 ' NE2' HD11 ' A' ' 14' ' ' LEU . 1.1 tp60 -89.82 -37.05 14.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 75.11 110.873 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 75.34 110.858 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 76.9 m-85 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.898 0.38 . . . . 64.01 110.925 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -100.06 -37.78 8.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 72.42 110.923 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 4.0 p-80 -50.92 -23.38 2.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 65.25 110.887 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.466 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.9 OUTLIER -58.79 -16.07 15.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 65.52 110.89 -179.916 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.468 ' CD1' ' N ' ' A' ' 6' ' ' HIS . 1.0 OUTLIER -66.61 -35.55 80.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.138 -0.483 . . . . 74.13 110.923 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.468 ' N ' ' CD1' ' A' ' 5' ' ' TRP . 1.8 t60 -111.36 -38.75 4.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 73.42 110.894 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.486 ' O ' HG22 ' A' ' 10' ' ' THR . 2.1 mmt-85 -71.47 -65.6 0.73 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 71.51 110.9 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.428 ' H ' ' HA ' ' A' ' 4' ' ' PHE . . . -57.47 -20.03 36.17 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.719 -0.753 . . . . 63.33 112.507 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 4' ' ' PHE . 47.7 t -91.44 -13.29 8.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.89 0.376 . . . . 73.21 111.109 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.735 HG23 HD23 ' A' ' 14' ' ' LEU . 2.0 t -56.1 -16.88 5.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 63.32 111.128 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.26 -41.23 60.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 72.13 110.873 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.41 -18.81 37.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 64.31 110.801 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.8 t -86.18 -18.5 32.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 71.11 110.862 -179.77 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.735 HD23 HG23 ' A' ' 10' ' ' THR . 4.2 pp -100.05 -29.7 12.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.115 -0.493 . . . . 74.31 110.904 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.52 ' N ' ' HD2' ' A' ' 16' ' ' PRO . 0.0 OUTLIER -29.56 -58.9 0.27 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.689 0.757 . . . . 70.23 110.881 -179.951 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.52 ' HD2' ' N ' ' A' ' 15' ' ' SER . 54.1 Cg_endo -69.75 56.07 1.34 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.687 2.258 . . . . 71.22 112.343 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -136.76 -168.24 2.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 73.51 110.848 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.8 mtm180 -47.47 105.28 0.47 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.632 0.73 . . . . 73.11 110.853 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.451 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 54.2 Cg_endo -69.76 -0.42 6.88 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.716 2.278 . . . . 54.2 112.39 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.8 ttm180 -61.37 -66.46 0.53 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 75.24 110.856 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.508 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 0.4 OUTLIER -87.7 -14.47 39.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 75.0 110.867 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.451 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 0.4 OUTLIER -49.2 -21.87 0.88 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 61.22 110.862 -179.784 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 89.2 mtt-85 -63.52 -32.21 73.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 71.02 110.811 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.594 ' C ' HD12 ' A' ' 24' ' ' LEU . 3.0 pp -99.22 -12.1 20.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 75.31 110.95 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.641 ' NE2' HD11 ' A' ' 14' ' ' LEU . 1.0 OUTLIER -90.13 -36.71 14.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 63.14 110.916 179.897 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 71.14 110.886 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.488 -0.245 . . . . 73.42 112.488 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.424 ' O ' HG12 ' A' ' 9' ' ' VAL . 46.7 t -91.55 -13.4 8.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.883 0.373 . . . . 74.11 111.109 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.715 HG23 HD23 ' A' ' 14' ' ' LEU . 2.3 t -54.95 -18.74 5.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 75.45 111.152 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.415 ' HA ' HD21 ' A' ' 14' ' ' LEU . 4.8 tttt -55.6 -41.89 74.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 61.42 110.86 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -81.89 -21.49 37.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 74.25 110.891 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.5 t -85.13 -18.65 33.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 75.01 110.872 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.715 HD23 HG23 ' A' ' 10' ' ' THR . 4.5 pp -100.03 -32.03 11.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 73.13 110.945 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.522 ' N ' ' HD2' ' A' ' 16' ' ' PRO . 0.0 OUTLIER -29.26 -58.91 0.25 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.666 0.746 . . . . 62.21 110.86 -179.898 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.522 ' HD2' ' N ' ' A' ' 15' ' ' SER . 53.5 Cg_endo -69.81 57.46 1.5 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.632 2.221 . . . . 72.25 112.346 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -140.87 -169.18 2.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 73.12 110.816 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 30.9 mtt85 -48.49 105.67 0.53 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.627 0.727 . . . . 71.24 110.868 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.428 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 53.6 Cg_endo -69.73 -1.38 8.35 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.726 2.284 . . . . 73.44 112.35 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.07 -66.06 0.6 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 72.22 110.899 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -87.63 -13.08 43.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 74.55 110.861 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.428 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 1.0 OUTLIER -50.1 -24.42 2.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 72.32 110.845 -179.745 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 79.9 mtm180 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 74.22 110.857 -179.944 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 N-CA-C 112.493 -0.243 . . . . 74.44 112.493 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.426 ' O ' HG12 ' A' ' 9' ' ' VAL . 46.9 t -91.44 -13.22 9.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.898 0.38 . . . . 73.42 111.13 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.596 HG23 HD23 ' A' ' 14' ' ' LEU . 3.7 t -51.82 -21.44 2.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 72.23 111.162 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.446 ' HA ' HD21 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -52.37 -40.66 62.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 55.51 110.884 179.89 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.27 -23.3 35.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 64.41 110.823 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -82.22 -18.99 40.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 33.14 110.852 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.596 HD23 HG23 ' A' ' 10' ' ' THR . 4.2 pp -100.76 -30.4 11.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.103 -0.499 . . . . 72.21 110.88 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.527 ' N ' ' HD2' ' A' ' 16' ' ' PRO . 0.7 OUTLIER -29.8 -58.66 0.28 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.688 0.756 . . . . 63.21 110.852 -179.939 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 15' ' ' SER . 53.5 Cg_endo -69.77 56.55 1.4 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.666 2.244 . . . . 42.54 112.321 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -138.34 -167.93 2.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 61.52 110.884 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.1 mtt180 -47.67 105.5 0.5 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.636 0.731 . . . . 70.23 110.867 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.467 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 53.7 Cg_endo -69.79 -1.85 9.21 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.708 2.272 . . . . 62.22 112.323 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.1 mtm180 -60.63 -68.2 0.32 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 63.4 110.858 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.413 ' CD2' ' H ' ' A' ' 21' ' ' HIS . 0.4 OUTLIER -86.47 -13.63 45.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 72.34 110.863 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.467 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 0.5 OUTLIER -48.81 -25.06 1.66 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 74.24 110.844 -179.822 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 71.14 110.843 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.467 -0.253 . . . . 41.14 112.467 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.415 HG12 ' O ' ' A' ' 9' ' ' VAL . 47.4 t -91.45 -13.51 8.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.916 0.389 . . . . 74.55 111.136 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.822 HG23 HD23 ' A' ' 14' ' ' LEU . 1.5 t -60.27 -13.5 13.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 70.22 111.128 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.41 -41.72 60.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 61.24 110.864 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -84.0 -16.15 45.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 72.35 110.883 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.7 t -89.68 -17.62 28.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 72.45 110.831 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.822 HD23 HG23 ' A' ' 10' ' ' THR . 4.5 pp -99.04 -32.77 11.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 74.21 110.928 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.527 ' N ' ' HD2' ' A' ' 16' ' ' PRO . 0.0 OUTLIER -29.78 -58.53 0.28 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.64 0.733 . . . . 62.24 110.863 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 15' ' ' SER . 53.3 Cg_endo -69.76 57.09 1.45 Allowed 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.752 2.301 . . . . 62.35 112.354 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -140.37 -168.67 2.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.2 -0.454 . . . . 62.14 110.877 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.5 mtm180 -48.17 105.72 0.53 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.567 0.699 . . . . 75.02 110.873 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.438 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 53.2 Cg_endo -69.74 -1.97 9.35 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.693 2.262 . . . . 73.23 112.323 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.2 mtp180 -60.15 -68.14 0.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 73.43 110.885 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.407 ' H ' ' CD2' ' A' ' 21' ' ' HIS . 0.4 OUTLIER -86.36 -13.69 45.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 73.21 110.839 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.438 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 0.6 OUTLIER -49.54 -24.64 2.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 75.03 110.869 -179.815 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 77.6 mtm180 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 71.14 110.885 -179.963 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.501 -0.24 . . . . 75.2 112.501 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.417 HG12 ' O ' ' A' ' 9' ' ' VAL . 47.2 t -91.5 -13.43 8.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.906 0.384 . . . . 73.12 111.132 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.818 HG23 HD23 ' A' ' 14' ' ' LEU . 1.7 t -59.25 -14.27 10.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 74.21 111.167 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.7 pttt -51.17 -41.39 60.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 64.45 110.913 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -83.73 -18.62 37.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 75.13 110.877 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.37 -18.13 32.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 64.45 110.853 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.818 HD23 HG23 ' A' ' 10' ' ' THR . 4.5 pp -99.69 -31.56 11.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 63.31 110.897 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.52 ' N ' ' HD2' ' A' ' 16' ' ' PRO . 0.0 OUTLIER -29.58 -59.01 0.27 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.632 0.73 . . . . 61.54 110.817 -179.896 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.52 ' HD2' ' N ' ' A' ' 15' ' ' SER . 53.2 Cg_endo -69.79 57.23 1.47 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.706 2.271 . . . . 74.24 112.282 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -139.97 -168.66 2.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.448 . . . . 74.1 110.835 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 9.9 mtt180 -48.18 105.66 0.52 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.621 0.724 . . . . 70.31 110.917 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.436 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 54.5 Cg_endo -69.72 -1.95 9.31 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.693 2.262 . . . . 73.32 112.38 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -60.49 -67.99 0.34 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 73.1 110.908 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.4 ' H ' ' CD2' ' A' ' 21' ' ' HIS . 0.4 OUTLIER -86.42 -13.51 46.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 74.31 110.843 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.436 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 0.7 OUTLIER -49.47 -24.76 2.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 63.23 110.857 -179.781 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 18.7 mtm180 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.092 -0.503 . . . . 75.21 110.891 -179.94 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 N-CA-C 112.457 -0.257 . . . . 74.4 112.457 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.42 ' O ' HG12 ' A' ' 9' ' ' VAL . 47.8 t -91.42 -13.65 8.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.926 0.393 . . . . 63.51 111.13 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.683 HG23 HD23 ' A' ' 14' ' ' LEU . 2.7 t -54.18 -19.67 5.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 71.22 111.117 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.415 ' HA ' HD21 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -53.9 -41.49 67.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 74.4 110.92 179.9 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -81.93 -22.65 36.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 72.33 110.89 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.9 t -83.15 -19.15 37.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 75.42 110.876 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.683 HD23 HG23 ' A' ' 10' ' ' THR . 4.3 pp -100.4 -29.96 12.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 73.45 110.928 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.517 ' N ' ' HD2' ' A' ' 16' ' ' PRO . 0.7 OUTLIER -29.53 -58.69 0.27 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.669 0.747 . . . . 65.25 110.82 -179.913 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' A' ' 15' ' ' SER . 53.3 Cg_endo -69.8 56.25 1.38 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.636 2.224 . . . . 65.11 112.353 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -137.74 -167.89 2.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 72.33 110.85 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.67 105.41 0.49 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.606 0.717 . . . . 73.01 110.857 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.453 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 53.8 Cg_endo -69.77 -1.45 8.5 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.665 2.244 . . . . 71.11 112.361 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.3 mtt180 -59.31 -68.46 0.27 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 74.11 110.86 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.41 ' CD2' ' H ' ' A' ' 21' ' ' HIS . 0.4 OUTLIER -86.28 -15.19 41.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 64.24 110.886 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.453 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 0.3 OUTLIER -48.64 -22.28 0.74 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 71.41 110.878 -179.774 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.3 mmm-85 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 74.51 110.856 -179.939 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.47 -0.252 . . . . 72.12 112.47 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.416 HG12 ' O ' ' A' ' 9' ' ' VAL . 46.6 t -91.26 -13.32 9.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.893 0.378 . . . . 71.01 111.152 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.78 HG23 HD23 ' A' ' 14' ' ' LEU . 1.7 t -56.59 -16.61 6.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 75.52 111.128 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.435 ' HA ' HD21 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -50.79 -40.85 56.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 72.44 110.867 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.83 -20.77 32.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 70.03 110.832 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.1 t -83.59 -18.61 37.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.429 . . . . 44.05 110.845 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.78 HD23 HG23 ' A' ' 10' ' ' THR . 4.2 pp -100.02 -30.53 11.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 72.21 110.953 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.543 ' N ' ' HD2' ' A' ' 16' ' ' PRO . 0.0 OUTLIER -30.39 -57.63 0.32 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.639 0.733 . . . . 73.32 110.834 -179.905 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.543 ' HD2' ' N ' ' A' ' 15' ' ' SER . 53.5 Cg_endo -69.8 55.44 1.29 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.707 2.272 . . . . 72.35 112.323 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -137.37 -167.25 2.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 73.33 110.864 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.34 105.25 0.47 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.576 0.703 . . . . 73.15 110.879 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.472 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 54.0 Cg_endo -69.71 -1.75 8.97 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.74 2.294 . . . . 65.53 112.332 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.4 mtm180 -60.24 -68.59 0.28 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 74.41 110.9 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.43 ' CD2' ' H ' ' A' ' 21' ' ' HIS . 0.4 OUTLIER -86.52 -14.07 44.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 75.22 110.855 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.472 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 0.3 OUTLIER -48.17 -25.19 1.39 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.26 -0.427 . . . . 72.24 110.854 -179.808 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 74.33 110.84 -179.895 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.471 -0.252 . . . . 70.42 112.471 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.419 ' O ' HG12 ' A' ' 9' ' ' VAL . 46.4 t -91.44 -13.47 8.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.916 0.388 . . . . 62.44 111.154 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.726 HG23 HD23 ' A' ' 14' ' ' LEU . 2.1 t -55.04 -18.72 5.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 74.01 111.168 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.42 ' HA ' HD21 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -54.47 -41.71 69.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 75.35 110.858 179.888 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -82.19 -20.86 36.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.287 -0.415 . . . . 71.3 110.872 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -85.52 -18.59 33.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 62.14 110.849 -179.751 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.726 HD23 HG23 ' A' ' 10' ' ' THR . 4.2 pp -100.49 -30.07 12.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 64.43 110.969 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.522 ' N ' ' HD2' ' A' ' 16' ' ' PRO . 0.0 OUTLIER -29.31 -58.91 0.26 Allowed Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.707 0.765 . . . . 72.41 110.88 -179.92 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.522 ' HD2' ' N ' ' A' ' 15' ' ' SER . 53.4 Cg_endo -69.78 56.12 1.36 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.687 2.258 . . . . 65.11 112.351 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -137.11 -168.35 2.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 72.53 110.85 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -47.63 105.29 0.47 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.612 0.72 . . . . 73.22 110.88 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.452 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 54.0 Cg_endo -69.77 -0.39 6.85 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.67 2.246 . . . . 72.4 112.333 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.3 ttt180 -61.25 -66.46 0.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 63.3 110.877 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.412 ' CD2' ' H ' ' A' ' 21' ' ' HIS . 0.4 OUTLIER -87.71 -14.45 39.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 75.14 110.879 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.452 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 0.4 OUTLIER -49.28 -21.89 0.94 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 64.42 110.852 -179.799 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 74.01 110.845 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.461 -0.256 . . . . 61.45 112.461 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.412 HG12 ' O ' ' A' ' 9' ' ' VAL . 46.6 t -91.65 -13.3 8.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.878 0.371 . . . . 73.24 111.124 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.828 HG23 HD23 ' A' ' 14' ' ' LEU . 1.6 t -59.05 -14.44 9.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 54.5 111.196 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.402 ' HA ' HD21 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -51.14 -41.27 59.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 71.03 110.924 179.859 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -83.87 -19.08 35.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 74.13 110.857 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -85.82 -18.16 33.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 64.45 110.864 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.828 HD23 HG23 ' A' ' 10' ' ' THR . 4.5 pp -99.67 -31.72 11.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.1 -0.5 . . . . 61.22 110.955 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.521 ' N ' ' HD2' ' A' ' 16' ' ' PRO . 0.0 OUTLIER -29.46 -58.89 0.26 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.632 0.73 . . . . 73.33 110.836 -179.916 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.521 ' HD2' ' N ' ' A' ' 15' ' ' SER . 53.2 Cg_endo -69.82 57.06 1.47 Allowed 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.697 2.264 . . . . 65.14 112.335 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -140.08 -169.12 2.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 74.12 110.859 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.4 mtp85 -48.38 105.55 0.51 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.556 0.693 . . . . 63.45 110.862 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.423 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 53.7 Cg_endo -69.77 -1.4 8.42 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.668 2.246 . . . . 64.23 112.337 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.46 ' HG3' ' N ' ' A' ' 21' ' ' HIS . 0.2 OUTLIER -61.76 -65.45 0.69 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 55.02 110.896 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.46 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -88.74 -13.0 40.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.145 -0.48 . . . . 74.33 110.852 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.423 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 1.1 t -49.88 -24.54 2.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 54.25 110.874 -179.758 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 52.0 mtt180 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 73.25 110.858 -179.948 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.515 -0.234 . . . . 74.52 112.515 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.408 HG12 ' O ' ' A' ' 9' ' ' VAL . 46.8 t -91.44 -13.28 8.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.87 0.367 . . . . 71.23 111.122 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.636 HG23 HD23 ' A' ' 14' ' ' LEU . 3.5 t -52.01 -21.18 2.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 73.33 111.149 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.423 ' HA ' HD21 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -51.33 -40.6 59.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 73.23 110.912 179.864 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.2 -21.04 36.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 75.32 110.883 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -85.15 -18.45 34.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 51.31 110.889 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.636 HD23 HG23 ' A' ' 10' ' ' THR . 4.5 pp -100.4 -31.91 11.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.092 -0.504 . . . . 73.11 110.891 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.522 ' N ' ' HD2' ' A' ' 16' ' ' PRO . 0.0 OUTLIER -29.32 -59.01 0.25 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.631 0.729 . . . . 73.11 110.822 -179.936 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.522 ' HD2' ' N ' ' A' ' 15' ' ' SER . 53.7 Cg_endo -69.76 57.17 1.46 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.703 2.269 . . . . 71.41 112.353 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -140.13 -169.01 2.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 75.25 110.783 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.4 mtt-85 -48.3 105.52 0.51 Allowed Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.586 0.708 . . . . 72.23 110.913 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.429 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 54.0 Cg_endo -69.72 -1.31 8.22 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.693 2.262 . . . . 72.24 112.374 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.463 ' HG3' ' N ' ' A' ' 21' ' ' HIS . 0.2 OUTLIER -61.77 -65.54 0.67 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 74.25 110.87 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.463 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -88.75 -12.96 40.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.458 . . . . 74.41 110.827 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.429 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 1.0 OUTLIER -49.89 -24.64 2.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 71.35 110.842 -179.791 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.9 mtm180 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 64.1 110.905 -179.976 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.495 -0.242 . . . . 30.44 112.495 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.411 HG12 ' O ' ' A' ' 9' ' ' VAL . 47.3 t -91.5 -13.44 8.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.908 0.385 . . . . 73.5 111.141 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.813 HG23 HD23 ' A' ' 14' ' ' LEU . 1.6 t -59.35 -14.23 11.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 73.44 111.174 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.24 -41.36 60.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 54.23 110.898 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -83.68 -18.43 38.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 73.43 110.888 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.7 -18.05 32.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 52.33 110.848 -179.826 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.813 HD23 HG23 ' A' ' 10' ' ' THR . 4.5 pp -99.69 -31.59 11.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.135 -0.484 . . . . 71.54 110.927 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.515 ' N ' ' HD2' ' A' ' 16' ' ' PRO . 0.0 OUTLIER -29.37 -58.94 0.26 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.634 0.731 . . . . 75.3 110.895 -179.927 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.515 ' HD2' ' N ' ' A' ' 15' ' ' SER . 53.6 Cg_endo -69.78 56.98 1.45 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.705 2.27 . . . . 74.21 112.341 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -139.63 -168.92 2.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 74.25 110.835 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.3 mtt180 -48.11 105.59 0.51 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.573 0.701 . . . . 71.43 110.851 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.437 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 53.9 Cg_endo -69.8 -1.2 8.1 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.656 2.237 . . . . 73.42 112.359 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.8 ttm180 -61.88 -66.19 0.58 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 64.21 110.888 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -87.63 -13.44 42.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 74.41 110.866 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.437 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 0.9 OUTLIER -49.87 -24.44 2.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 74.31 110.824 -179.756 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.5 mtm180 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.481 . . . . 72.32 110.881 -179.948 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.487 -0.245 . . . . 33.34 112.487 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.425 ' O ' HG12 ' A' ' 9' ' ' VAL . 46.5 t -91.46 -13.38 8.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.909 0.385 . . . . 75.33 111.102 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.722 HG23 HD23 ' A' ' 14' ' ' LEU . 2.2 t -55.17 -18.61 6.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 73.11 111.165 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.418 ' HA ' HD21 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -55.16 -41.78 72.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 74.44 110.896 179.891 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -82.28 -21.32 36.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 64.11 110.918 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -85.18 -18.35 34.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 74.54 110.844 -179.785 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.722 HD23 HG23 ' A' ' 10' ' ' THR . 4.5 pp -100.24 -31.72 11.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 71.24 110.92 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.522 ' N ' ' HD2' ' A' ' 16' ' ' PRO . 0.0 OUTLIER -29.29 -58.99 0.25 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.692 0.758 . . . . 52.11 110.835 -179.895 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.522 ' HD2' ' N ' ' A' ' 15' ' ' SER . 54.0 Cg_endo -69.8 56.99 1.46 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.674 2.25 . . . . 74.22 112.312 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -139.56 -168.84 2.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 75.51 110.833 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 9.9 mmm180 -48.07 105.55 0.51 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.603 0.716 . . . . 65.14 110.893 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.421 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 53.7 Cg_endo -69.75 -1.18 8.03 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.684 2.256 . . . . 63.01 112.347 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.445 ' HG3' ' N ' ' A' ' 21' ' ' HIS . 0.0 OUTLIER -61.56 -65.71 0.65 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 73.33 110.871 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.445 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -88.65 -13.35 40.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 73.31 110.86 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.421 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 0.9 OUTLIER -49.72 -24.62 2.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 62.42 110.877 -179.758 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 13.0 mtt-85 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.114 -0.494 . . . . 74.51 110.82 -179.945 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.521 -0.232 . . . . 74.13 112.521 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.416 HG12 ' O ' ' A' ' 9' ' ' VAL . 47.6 t -91.41 -13.23 9.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.932 0.396 . . . . 62.3 111.152 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.763 HG23 HD23 ' A' ' 14' ' ' LEU . 1.7 t -58.14 -15.48 9.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 73.0 111.124 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.09 -41.32 59.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 52.34 110.867 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.96 -18.52 36.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 73.52 110.874 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 10.2 t -86.19 -18.26 32.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 64.51 110.862 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.763 HD23 HG23 ' A' ' 10' ' ' THR . 4.2 pp -99.87 -29.88 12.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 72.32 110.898 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.519 ' N ' ' HD2' ' A' ' 16' ' ' PRO . 0.0 OUTLIER -29.8 -58.79 0.28 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.611 0.72 . . . . 64.53 110.862 -179.918 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.519 ' HD2' ' N ' ' A' ' 15' ' ' SER . 53.8 Cg_endo -69.82 56.3 1.39 Allowed 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.681 2.254 . . . . 74.43 112.338 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -137.13 -167.95 2.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.433 . . . . 72.13 110.874 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.2 mtm180 -47.62 105.52 0.5 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.632 0.729 . . . . 72.01 110.832 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.458 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 53.5 Cg_endo -69.76 -1.52 8.6 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.716 2.277 . . . . 61.54 112.301 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -59.34 -68.31 0.29 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 74.13 110.84 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.417 ' CD2' ' H ' ' A' ' 21' ' ' HIS . 0.4 OUTLIER -86.52 -15.11 41.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 70.1 110.852 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.458 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 0.3 OUTLIER -48.52 -22.3 0.71 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.443 . . . . 42.11 110.825 -179.766 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.1 mtm180 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 61.02 110.901 -179.938 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.49 -0.244 . . . . 54.11 112.49 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.421 ' O ' HG12 ' A' ' 9' ' ' VAL . 46.9 t -91.31 -13.36 9.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.849 0.357 . . . . 65.44 111.113 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.657 HG23 HD23 ' A' ' 14' ' ' LEU . 2.9 t -52.28 -19.72 2.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 53.34 111.116 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.84 -40.79 61.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 74.32 110.908 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -83.21 -17.02 44.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 70.45 110.86 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -89.73 -18.01 27.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 61.14 110.876 -179.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.657 HD23 HG23 ' A' ' 10' ' ' THR . 4.4 pp -99.58 -30.92 11.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.104 -0.498 . . . . 72.32 110.909 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.53 ' N ' ' HD2' ' A' ' 16' ' ' PRO . 0.0 OUTLIER -30.03 -58.43 0.29 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.668 0.747 . . . . 62.41 110.85 -179.934 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.53 ' HD2' ' N ' ' A' ' 15' ' ' SER . 53.9 Cg_endo -69.72 56.03 1.32 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.628 2.219 . . . . 75.05 112.361 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -137.14 -167.88 2.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.238 -0.437 . . . . 73.54 110.867 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.9 mtm180 -47.46 105.46 0.49 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.613 0.72 . . . . 73.21 110.859 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.46 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 53.7 Cg_endo -69.73 -1.43 8.44 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.705 2.27 . . . . 61.0 112.323 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.1 mtt-85 -59.08 -68.45 0.27 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 71.55 110.906 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.425 ' CD2' ' H ' ' A' ' 21' ' ' HIS . 0.4 OUTLIER -86.37 -15.48 40.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 73.52 110.848 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.46 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 0.3 OUTLIER -48.29 -22.36 0.66 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 71.24 110.852 -179.757 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.8 mtt85 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 61.53 110.849 -179.94 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.262 0 N-CA-C 112.467 -0.253 . . . . 44.23 112.467 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.417 HG12 ' O ' ' A' ' 9' ' ' VAL . 47.5 t -91.51 -13.39 8.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.88 0.371 . . . . 73.4 111.119 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.808 HG23 HD23 ' A' ' 14' ' ' LEU . 1.6 t -59.4 -14.18 11.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 61.11 111.113 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.28 -41.39 60.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 73.24 110.914 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -83.67 -18.64 37.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 71.01 110.888 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.27 -18.27 32.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 74.53 110.902 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.808 HD23 HG23 ' A' ' 10' ' ' THR . 4.3 pp -99.98 -29.76 12.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 72.01 110.894 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.521 ' N ' ' HD2' ' A' ' 16' ' ' PRO . 0.0 OUTLIER -29.66 -58.96 0.27 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.644 0.735 . . . . 75.41 110.842 -179.907 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.521 ' HD2' ' N ' ' A' ' 15' ' ' SER . 53.7 Cg_endo -69.78 56.34 1.38 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.654 2.236 . . . . 72.42 112.364 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -137.22 -167.98 2.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.184 -0.462 . . . . 72.12 110.891 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.8 mtp180 -47.66 105.47 0.49 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.642 0.734 . . . . 74.23 110.874 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.453 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 53.3 Cg_endo -69.82 -1.29 8.27 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.664 2.243 . . . . 74.4 112.329 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.1 mtp85 -59.21 -68.42 0.28 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 73.12 110.866 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.417 ' CD2' ' H ' ' A' ' 21' ' ' HIS . 0.4 OUTLIER -86.48 -15.35 40.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 71.43 110.805 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.453 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 0.3 OUTLIER -48.14 -22.55 0.65 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 70.12 110.834 -179.774 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 62.43 110.836 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.474 -0.251 . . . . 73.24 112.474 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.422 ' O ' HG12 ' A' ' 9' ' ' VAL . 46.8 t -91.51 -13.45 8.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.925 0.393 . . . . 72.04 111.101 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.727 HG23 HD23 ' A' ' 14' ' ' LEU . 2.2 t -55.0 -18.75 5.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 73.42 111.154 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.429 ' HA ' HD21 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -54.64 -41.72 70.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 71.5 110.942 179.872 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -82.25 -21.13 36.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 73.01 110.899 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -85.2 -18.45 34.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 54.03 110.882 -179.82 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.727 HD23 HG23 ' A' ' 10' ' ' THR . 4.4 pp -100.27 -31.17 11.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 71.44 110.926 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.522 ' N ' ' HD2' ' A' ' 16' ' ' PRO . 0.0 OUTLIER -28.4 -58.94 0.23 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.683 0.754 . . . . 72.4 110.876 -179.942 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.522 ' HD2' ' N ' ' A' ' 15' ' ' SER . 53.8 Cg_endo -69.74 58.28 1.54 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.689 2.259 . . . . 62.23 112.316 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -142.87 -168.97 2.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.434 . . . . 73.12 110.852 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.26 106.1 0.57 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.557 0.694 . . . . 75.25 110.905 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.404 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 53.7 Cg_endo -69.79 -0.87 7.56 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.705 2.27 . . . . 73.2 112.338 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.448 ' HG3' ' N ' ' A' ' 21' ' ' HIS . 0.2 OUTLIER -61.57 -65.06 0.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 71.54 110.881 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.448 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -89.07 -12.66 40.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 75.13 110.879 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.404 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 0.9 OUTLIER -52.54 -21.07 3.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 62.25 110.896 -179.842 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.9 mtt180 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.084 -0.507 . . . . 62.32 110.89 -179.937 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.248 0 N-CA-C 112.461 -0.255 . . . . 75.51 112.461 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.424 ' O ' HG12 ' A' ' 9' ' ' VAL . 46.3 t -91.45 -13.43 8.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.929 0.395 . . . . 72.45 111.12 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.765 HG23 HD23 ' A' ' 14' ' ' LEU . 1.9 t -55.9 -17.87 7.57 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.198 -0.456 . . . . 73.51 111.141 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.42 ' HA ' HD21 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -55.34 -41.7 72.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 65.31 110.916 179.863 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -82.83 -19.26 37.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 72.13 110.903 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -88.24 -18.04 29.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 71.42 110.82 -179.812 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.765 HD23 HG23 ' A' ' 10' ' ' THR . 4.3 pp -99.7 -30.72 11.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.18 -0.464 . . . . 53.55 110.941 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.533 ' N ' ' HD2' ' A' ' 16' ' ' PRO . 0.1 OUTLIER -29.8 -58.22 0.29 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.664 0.745 . . . . 61.0 110.85 -179.906 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.533 ' HD2' ' N ' ' A' ' 15' ' ' SER . 54.0 Cg_endo -69.76 55.88 1.32 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.679 2.253 . . . . 74.03 112.348 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -137.12 -168.35 2.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 54.13 110.818 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 37.7 mtt180 -47.5 105.29 0.47 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.588 0.708 . . . . 70.2 110.863 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.441 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 54.5 Cg_endo -69.72 -0.34 6.74 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.701 2.268 . . . . 72.45 112.372 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.24 -66.45 0.53 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 71.35 110.842 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.406 ' CD2' ' H ' ' A' ' 21' ' ' HIS . 0.4 OUTLIER -87.74 -14.58 39.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 71.5 110.847 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.441 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 0.4 OUTLIER -49.2 -21.9 0.89 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 51.33 110.825 -179.761 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.5 mmt85 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 53.45 110.878 -179.939 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.495 -0.242 . . . . 55.22 112.495 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 76.4 t -91.1 -20.44 6.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.927 0.394 . . . . 72.11 111.156 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 14.7 t -57.82 -17.1 13.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 70.33 111.108 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.419 ' HA ' HD21 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -56.05 -42.32 76.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 72.44 110.94 179.898 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.6 ptm180 -82.21 -20.32 37.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 74.21 110.861 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -85.98 -18.39 32.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 63.13 110.875 -179.776 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.491 ' O ' ' C ' ' A' ' 15' ' ' SER . 4.5 pp -100.0 -32.57 10.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 75.43 110.908 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.542 ' N ' ' HD2' ' A' ' 16' ' ' PRO . 0.1 OUTLIER -29.88 -57.78 0.3 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.667 0.746 . . . . 73.43 110.865 -179.898 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.542 ' HD2' ' N ' ' A' ' 15' ' ' SER . 53.9 Cg_endo -69.75 56.33 1.37 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.699 2.266 . . . . 61.32 112.337 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -140.03 -167.86 2.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 65.21 110.871 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.429 ' HA ' ' HD2' ' A' ' 19' ' ' PRO . 0.4 OUTLIER -48.0 105.46 0.5 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.596 0.712 . . . . 72.23 110.901 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.443 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 53.4 Cg_endo -69.78 -2.02 9.48 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.699 2.266 . . . . 72.45 112.34 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.3 mtm180 -60.56 -68.22 0.32 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 72.25 110.846 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.417 ' CD2' ' H ' ' A' ' 21' ' ' HIS . 0.4 OUTLIER -86.4 -13.41 46.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 72.4 110.866 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.443 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 0.5 OUTLIER -49.54 -24.66 2.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 65.33 110.861 -179.801 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 73.2 mtt180 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.478 . . . . 72.21 110.879 -179.95 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.481 -0.248 . . . . 45.23 112.481 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.415 HG12 ' O ' ' A' ' 9' ' ' VAL . 47.5 t -91.45 -13.35 8.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.933 0.397 . . . . 55.3 111.146 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.801 HG23 HD23 ' A' ' 14' ' ' LEU . 2.0 t -57.14 -15.97 6.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 71.53 111.154 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.425 ' HA ' HD21 ' A' ' 14' ' ' LEU . 3.4 pttt -50.59 -41.05 54.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 73.1 110.909 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -83.79 -21.06 32.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 72.24 110.896 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -83.35 -18.59 38.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 61.24 110.836 -179.772 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.801 HD23 HG23 ' A' ' 10' ' ' THR . 4.1 pp -100.18 -30.55 11.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 73.43 110.909 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.541 ' N ' ' HD2' ' A' ' 16' ' ' PRO . 0.0 OUTLIER -30.13 -57.68 0.31 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.702 0.763 . . . . 61.54 110.936 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.541 ' HD2' ' N ' ' A' ' 15' ' ' SER . 54.0 Cg_endo -69.73 55.29 1.25 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.64 2.227 . . . . 65.21 112.409 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -137.28 -167.52 2.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 74.31 110.865 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 9.6 mtp180 -47.26 105.11 0.45 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.629 0.728 . . . . 73.43 110.908 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.449 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 53.9 Cg_endo -69.72 -1.1 7.86 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.688 2.259 . . . . 72.44 112.354 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.46 ' HG3' ' N ' ' A' ' 21' ' ' HIS . 0.3 OUTLIER -61.55 -66.36 0.55 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 63.3 110.873 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.46 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -88.6 -13.43 39.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 55.42 110.908 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.449 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 0.5 OUTLIER -48.87 -24.91 1.63 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 63.42 110.868 -179.799 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 56.1 mtt180 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 64.43 110.891 -179.967 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.475 -0.25 . . . . 74.15 112.475 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.414 HG12 ' O ' ' A' ' 9' ' ' VAL . 47.3 t -91.53 -13.46 8.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.859 0.361 . . . . 51.02 111.104 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.838 HG23 HD23 ' A' ' 14' ' ' LEU . 1.5 t -60.57 -13.37 13.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 61.41 111.163 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.42 ' HA ' HD21 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -50.1 -41.23 48.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 75.42 110.878 179.891 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.53 -20.1 32.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 71.41 110.883 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.8 t -83.86 -18.3 37.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 73.21 110.903 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.838 HD23 HG23 ' A' ' 10' ' ' THR . 4.3 pp -99.73 -30.46 12.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.087 -0.506 . . . . 75.02 110.907 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.542 ' N ' ' HD2' ' A' ' 16' ' ' PRO . 0.0 OUTLIER -29.95 -57.8 0.3 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.66 0.743 . . . . 72.1 110.839 -179.946 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.542 ' HD2' ' N ' ' A' ' 15' ' ' SER . 53.4 Cg_endo -69.82 55.24 1.28 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.691 2.26 . . . . 72.54 112.311 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -137.09 -167.39 2.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 75.01 110.892 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.6 mtt180 -47.44 105.17 0.46 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.637 0.732 . . . . 74.51 110.878 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.451 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 53.3 Cg_endo -69.73 -1.69 8.89 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.667 2.245 . . . . 75.33 112.361 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.5 mtm180 -59.13 -68.61 0.26 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 61.4 110.817 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.417 ' CD2' ' H ' ' A' ' 21' ' ' HIS . 0.4 OUTLIER -86.36 -15.19 41.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 73.23 110.85 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.451 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 0.3 OUTLIER -48.52 -22.34 0.72 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 71.25 110.867 -179.771 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.091 -0.504 . . . . 64.12 110.873 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.507 -0.237 . . . . 63.33 112.507 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.408 HG12 ' O ' ' A' ' 9' ' ' VAL . 47.7 t -91.44 -13.29 8.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.89 0.376 . . . . 73.21 111.109 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.735 HG23 HD23 ' A' ' 14' ' ' LEU . 2.0 t -56.1 -16.88 5.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 63.32 111.128 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.26 -41.23 60.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 72.13 110.873 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.41 -18.81 37.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 64.31 110.801 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.8 t -86.18 -18.5 32.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 71.11 110.862 -179.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.735 HD23 HG23 ' A' ' 10' ' ' THR . 4.2 pp -100.05 -29.7 12.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.115 -0.493 . . . . 74.31 110.904 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.52 ' N ' ' HD2' ' A' ' 16' ' ' PRO . 0.0 OUTLIER -29.56 -58.9 0.27 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.689 0.757 . . . . 70.23 110.881 -179.951 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.52 ' HD2' ' N ' ' A' ' 15' ' ' SER . 54.1 Cg_endo -69.75 56.07 1.34 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.687 2.258 . . . . 71.22 112.343 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -136.76 -168.24 2.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 73.51 110.848 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.8 mtm180 -47.47 105.28 0.47 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.632 0.73 . . . . 73.11 110.853 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.451 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 54.2 Cg_endo -69.76 -0.42 6.88 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.716 2.278 . . . . 54.2 112.39 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.8 ttm180 -61.37 -66.46 0.53 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 75.24 110.856 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.406 ' CD2' ' H ' ' A' ' 21' ' ' HIS . 0.4 OUTLIER -87.7 -14.47 39.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 75.0 110.867 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.451 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 0.4 OUTLIER -49.2 -21.87 0.88 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 61.22 110.862 -179.784 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 89.2 mtt-85 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 71.02 110.811 -179.892 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.908 0.385 . . . . 73.24 110.898 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -100.03 -37.69 8.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.088 -0.506 . . . . 74.45 110.955 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -52.3 -19.92 2.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.079 -0.509 . . . . 74.44 110.804 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.466 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.1 OUTLIER -61.07 -15.61 34.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 75.41 110.891 -179.869 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.454 ' CD1' ' N ' ' A' ' 6' ' ' HIS . 1.0 OUTLIER -66.96 -35.69 80.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.488 . . . . 74.04 110.904 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.454 ' N ' ' CD1' ' A' ' 5' ' ' TRP . 0.2 OUTLIER -111.01 -38.19 5.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 65.42 110.836 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.505 ' O ' HG22 ' A' ' 10' ' ' THR . 21.7 mmm180 -71.84 -65.83 0.71 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 74.42 110.875 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.429 ' H ' ' HA ' ' A' ' 4' ' ' PHE . . . -57.47 -20.23 36.91 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.742 -0.742 . . . . 73.42 112.488 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 4' ' ' PHE . 46.7 t -91.55 -13.4 8.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.883 0.373 . . . . 74.11 111.109 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.715 HG23 HD23 ' A' ' 14' ' ' LEU . 2.3 t -54.95 -18.74 5.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 75.45 111.152 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.415 ' HA ' HD21 ' A' ' 14' ' ' LEU . 4.8 tttt -55.6 -41.89 74.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 61.42 110.86 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -81.89 -21.49 37.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 74.25 110.891 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.5 t -85.13 -18.65 33.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 75.01 110.872 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.715 HD23 HG23 ' A' ' 10' ' ' THR . 4.5 pp -100.03 -32.03 11.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 73.13 110.945 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.522 ' N ' ' HD2' ' A' ' 16' ' ' PRO . 0.0 OUTLIER -29.26 -58.91 0.25 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.666 0.746 . . . . 62.21 110.86 -179.898 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.522 ' HD2' ' N ' ' A' ' 15' ' ' SER . 53.5 Cg_endo -69.81 57.46 1.5 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.632 2.221 . . . . 72.25 112.346 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -140.87 -169.18 2.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 73.12 110.816 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 30.9 mtt85 -48.49 105.67 0.53 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.627 0.727 . . . . 71.24 110.868 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.428 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 53.6 Cg_endo -69.73 -1.38 8.35 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.726 2.284 . . . . 73.44 112.35 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.07 -66.06 0.6 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 72.22 110.899 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -87.63 -13.08 43.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 74.55 110.861 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.428 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 1.0 OUTLIER -50.1 -24.42 2.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 72.32 110.845 -179.745 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 79.9 mtm180 -71.08 -28.38 64.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 74.22 110.857 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -98.65 -13.87 20.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 61.01 110.918 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -89.4 -38.83 13.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 52.53 110.879 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 73.24 110.833 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 1.4 t80 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.927 0.394 . . . . 74.42 110.943 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -99.97 -37.8 8.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.07 -0.513 . . . . 75.34 110.927 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 3.9 p-80 -50.96 -23.35 2.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 74.34 110.86 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.47 ' O ' HG23 ' A' ' 9' ' ' VAL . 10.9 m-85 -58.76 -16.11 15.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 73.35 110.877 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.463 ' CD1' ' N ' ' A' ' 6' ' ' HIS . 1.0 OUTLIER -66.61 -35.46 80.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 73.31 110.908 -179.946 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.463 ' N ' ' CD1' ' A' ' 5' ' ' TRP . 0.2 OUTLIER -111.51 -38.74 4.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 73.33 110.875 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.484 ' O ' HG22 ' A' ' 10' ' ' THR . 4.3 mmt180 -71.39 -65.67 0.72 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 72.3 110.849 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.437 ' H ' ' HA ' ' A' ' 4' ' ' PHE . . . -57.39 -19.87 34.93 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.735 -0.745 . . . . 74.44 112.493 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 4' ' ' PHE . 46.9 t -91.44 -13.22 9.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.898 0.38 . . . . 73.42 111.13 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.596 HG23 HD23 ' A' ' 14' ' ' LEU . 3.7 t -51.82 -21.44 2.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 72.23 111.162 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.446 ' HA ' HD21 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -52.37 -40.66 62.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 55.51 110.884 179.89 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.27 -23.3 35.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 64.41 110.823 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -82.22 -18.99 40.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 33.14 110.852 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.596 HD23 HG23 ' A' ' 10' ' ' THR . 4.2 pp -100.76 -30.4 11.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.103 -0.499 . . . . 72.21 110.88 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.527 ' N ' ' HD2' ' A' ' 16' ' ' PRO . 0.7 OUTLIER -29.8 -58.66 0.28 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.688 0.756 . . . . 63.21 110.852 -179.939 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 15' ' ' SER . 53.5 Cg_endo -69.77 56.55 1.4 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.666 2.244 . . . . 42.54 112.321 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -138.34 -167.93 2.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 61.52 110.884 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.1 mtt180 -47.67 105.5 0.5 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.636 0.731 . . . . 70.23 110.867 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.467 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 53.7 Cg_endo -69.79 -1.85 9.21 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.708 2.272 . . . . 62.22 112.323 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.1 mtm180 -60.63 -68.2 0.32 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 63.4 110.858 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.413 ' CD2' ' H ' ' A' ' 21' ' ' HIS . 0.4 OUTLIER -86.47 -13.63 45.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 72.34 110.863 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.467 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 0.5 OUTLIER -48.81 -25.06 1.66 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 74.24 110.844 -179.822 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.34 -30.38 71.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 71.14 110.843 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -97.9 -13.36 21.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.449 . . . . 74.24 110.92 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.56 ' NE2' HD11 ' A' ' 14' ' ' LEU . 0.8 OUTLIER -91.23 -35.51 14.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 73.11 110.918 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 71.31 110.892 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 40.9 p90 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.891 0.377 . . . . 70.23 110.922 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -100.02 -37.77 8.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 75.51 110.899 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 3.8 p-80 -50.94 -23.37 2.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 73.03 110.88 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.472 ' O ' HG23 ' A' ' 9' ' ' VAL . 8.3 t80 -58.85 -16.03 15.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 70.2 110.86 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.456 ' CD1' ' N ' ' A' ' 6' ' ' HIS . 1.0 OUTLIER -66.61 -35.54 80.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.161 -0.472 . . . . 73.41 110.922 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.456 ' N ' ' CD1' ' A' ' 5' ' ' TRP . 0.4 OUTLIER -111.36 -38.79 4.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.439 . . . . 60.43 110.849 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.52 ' O ' HG22 ' A' ' 10' ' ' THR . 1.2 mmt85 -71.43 -65.64 0.73 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 65.1 110.929 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.432 ' H ' ' HA ' ' A' ' 4' ' ' PHE . . . -57.34 -20.07 35.36 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.783 -0.723 . . . . 41.14 112.467 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 4' ' ' PHE . 47.4 t -91.45 -13.51 8.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.916 0.389 . . . . 74.55 111.136 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.822 HG23 HD23 ' A' ' 14' ' ' LEU . 1.5 t -60.27 -13.5 13.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 70.22 111.128 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.41 -41.72 60.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 61.24 110.864 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -84.0 -16.15 45.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 72.35 110.883 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.7 t -89.68 -17.62 28.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 72.45 110.831 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.822 HD23 HG23 ' A' ' 10' ' ' THR . 4.5 pp -99.04 -32.77 11.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 74.21 110.928 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.527 ' N ' ' HD2' ' A' ' 16' ' ' PRO . 0.0 OUTLIER -29.78 -58.53 0.28 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.64 0.733 . . . . 62.24 110.863 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 15' ' ' SER . 53.3 Cg_endo -69.76 57.09 1.45 Allowed 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.752 2.301 . . . . 62.35 112.354 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -140.37 -168.67 2.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.2 -0.454 . . . . 62.14 110.877 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.5 mtm180 -48.17 105.72 0.53 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.567 0.699 . . . . 75.02 110.873 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.438 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 53.2 Cg_endo -69.74 -1.97 9.35 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.693 2.262 . . . . 73.23 112.323 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.2 mtp180 -60.15 -68.14 0.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 73.43 110.885 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.407 ' H ' ' CD2' ' A' ' 21' ' ' HIS . 0.4 OUTLIER -86.36 -13.69 45.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 73.21 110.839 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.438 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 0.6 OUTLIER -49.54 -24.64 2.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 75.03 110.869 -179.815 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 77.6 mtm180 -68.59 -29.13 67.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 71.14 110.885 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -98.11 -13.91 20.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 73.55 110.887 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -90.22 -36.92 14.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 74.22 110.905 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 75.14 110.867 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.903 0.382 . . . . 75.44 110.912 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -99.98 -38.21 8.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 74.11 110.867 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 27.2 p80 -50.67 -23.68 2.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 71.11 110.903 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.46 ' O ' HG23 ' A' ' 9' ' ' VAL . 33.0 m-85 -58.44 -16.26 14.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 75.15 110.882 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.465 ' CD1' ' N ' ' A' ' 6' ' ' HIS . 1.0 OUTLIER -66.59 -35.53 80.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.114 -0.493 . . . . 72.21 110.904 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.465 ' N ' ' CD1' ' A' ' 5' ' ' TRP . 0.1 OUTLIER -111.55 -38.74 4.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.226 -0.443 . . . . 54.31 110.837 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.524 ' O ' HG22 ' A' ' 10' ' ' THR . 3.4 mmt180 -71.15 -65.7 0.71 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 53.45 110.883 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.428 ' H ' ' HA ' ' A' ' 4' ' ' PHE . . . -57.52 -19.88 35.93 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.73 -0.747 . . . . 75.2 112.501 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 4' ' ' PHE . 47.2 t -91.5 -13.43 8.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.906 0.384 . . . . 73.12 111.132 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.818 HG23 HD23 ' A' ' 14' ' ' LEU . 1.7 t -59.25 -14.27 10.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 74.21 111.167 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.7 pttt -51.17 -41.39 60.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 64.45 110.913 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -83.73 -18.62 37.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 75.13 110.877 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.37 -18.13 32.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 64.45 110.853 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.818 HD23 HG23 ' A' ' 10' ' ' THR . 4.5 pp -99.69 -31.56 11.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 63.31 110.897 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.52 ' N ' ' HD2' ' A' ' 16' ' ' PRO . 0.0 OUTLIER -29.58 -59.01 0.27 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.632 0.73 . . . . 61.54 110.817 -179.896 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.52 ' HD2' ' N ' ' A' ' 15' ' ' SER . 53.2 Cg_endo -69.79 57.23 1.47 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.706 2.271 . . . . 74.24 112.282 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -139.97 -168.66 2.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.448 . . . . 74.1 110.835 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 9.9 mtt180 -48.18 105.66 0.52 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.621 0.724 . . . . 70.31 110.917 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.436 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 54.5 Cg_endo -69.72 -1.95 9.31 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.693 2.262 . . . . 73.32 112.38 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -60.49 -67.99 0.34 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 73.1 110.908 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.4 ' H ' ' CD2' ' A' ' 21' ' ' HIS . 0.4 OUTLIER -86.42 -13.51 46.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 74.31 110.843 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.436 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 0.7 OUTLIER -49.47 -24.76 2.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 63.23 110.857 -179.781 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 18.7 mtm180 -68.48 -29.24 67.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.092 -0.503 . . . . 75.21 110.891 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -98.25 -13.34 20.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 75.52 110.924 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -91.28 -35.78 14.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 73.44 110.919 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 75.24 110.9 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.92 0.39 . . . . 74.02 110.872 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -100.07 -37.86 8.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.111 -0.495 . . . . 62.03 110.934 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -50.96 -23.29 2.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.117 -0.492 . . . . 70.24 110.832 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.47 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.1 OUTLIER -58.91 -16.05 15.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 74.35 110.882 -179.912 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.456 ' CD1' ' N ' ' A' ' 6' ' ' HIS . 1.0 OUTLIER -66.65 -35.37 80.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 75.42 110.88 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.456 ' N ' ' CD1' ' A' ' 5' ' ' TRP . 6.1 t-160 -111.44 -38.98 4.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.271 -0.422 . . . . 73.14 110.808 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.498 ' O ' HG22 ' A' ' 10' ' ' THR . 3.3 mmp_? -71.35 -65.52 0.74 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 61.34 110.939 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.443 ' H ' ' HA ' ' A' ' 4' ' ' PHE . . . -57.37 -19.86 34.73 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.732 -0.747 . . . . 74.4 112.457 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 4' ' ' PHE . 47.8 t -91.42 -13.65 8.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.926 0.393 . . . . 63.51 111.13 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.683 HG23 HD23 ' A' ' 14' ' ' LEU . 2.7 t -54.18 -19.67 5.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 71.22 111.117 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.415 ' HA ' HD21 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -53.9 -41.49 67.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 74.4 110.92 179.9 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -81.93 -22.65 36.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 72.33 110.89 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.9 t -83.15 -19.15 37.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 75.42 110.876 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.683 HD23 HG23 ' A' ' 10' ' ' THR . 4.3 pp -100.4 -29.96 12.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 73.45 110.928 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.517 ' N ' ' HD2' ' A' ' 16' ' ' PRO . 0.7 OUTLIER -29.53 -58.69 0.27 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.669 0.747 . . . . 65.25 110.82 -179.913 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' A' ' 15' ' ' SER . 53.3 Cg_endo -69.8 56.25 1.38 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.636 2.224 . . . . 65.11 112.353 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -137.74 -167.89 2.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 72.33 110.85 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.67 105.41 0.49 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.606 0.717 . . . . 73.01 110.857 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.453 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 53.8 Cg_endo -69.77 -1.45 8.5 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.665 2.244 . . . . 71.11 112.361 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.3 mtt180 -59.31 -68.46 0.27 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 74.11 110.86 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.512 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 0.4 OUTLIER -86.28 -15.19 41.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 64.24 110.886 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.453 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 0.3 OUTLIER -48.64 -22.28 0.74 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 71.41 110.878 -179.774 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.3 mmm-85 -62.87 -32.21 73.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 74.51 110.856 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.594 ' C ' HD12 ' A' ' 24' ' ' LEU . 3.0 pp -98.96 -12.14 20.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.177 -0.465 . . . . 71.12 110.891 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.595 ' NE2' HD11 ' A' ' 14' ' ' LEU . 0.7 OUTLIER -89.27 -39.03 13.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 44.53 110.906 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 64.54 110.834 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 43.7 p90 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.925 0.393 . . . . 75.22 110.897 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -99.86 -38.74 8.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 74.33 110.927 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -51.99 -20.04 2.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.09 -0.505 . . . . 75.24 110.871 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.459 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.1 OUTLIER -61.11 -15.57 34.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 54.33 110.89 -179.913 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.456 ' CD1' ' N ' ' A' ' 6' ' ' HIS . 1.0 OUTLIER -66.89 -35.93 81.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.12 -0.491 . . . . 75.4 110.91 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.456 ' N ' ' CD1' ' A' ' 5' ' ' TRP . 3.0 t60 -110.85 -37.9 5.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 63.11 110.84 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.482 ' O ' HG22 ' A' ' 10' ' ' THR . 6.1 mmt180 -71.86 -65.97 0.7 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 74.42 110.875 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.42 ' H ' ' HA ' ' A' ' 4' ' ' PHE . . . -57.52 -20.64 38.94 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.753 -0.737 . . . . 72.12 112.47 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 4' ' ' PHE . 46.6 t -91.26 -13.32 9.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.893 0.378 . . . . 71.01 111.152 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.78 HG23 HD23 ' A' ' 14' ' ' LEU . 1.7 t -56.59 -16.61 6.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 75.52 111.128 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.435 ' HA ' HD21 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -50.79 -40.85 56.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 72.44 110.867 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.83 -20.77 32.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 70.03 110.832 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.1 t -83.59 -18.61 37.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.429 . . . . 44.05 110.845 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.78 HD23 HG23 ' A' ' 10' ' ' THR . 4.2 pp -100.02 -30.53 11.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 72.21 110.953 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.543 ' N ' ' HD2' ' A' ' 16' ' ' PRO . 0.0 OUTLIER -30.39 -57.63 0.32 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.639 0.733 . . . . 73.32 110.834 -179.905 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.543 ' HD2' ' N ' ' A' ' 15' ' ' SER . 53.5 Cg_endo -69.8 55.44 1.29 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.707 2.272 . . . . 72.35 112.323 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -137.37 -167.25 2.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 73.33 110.864 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.34 105.25 0.47 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.576 0.703 . . . . 73.15 110.879 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.472 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 54.0 Cg_endo -69.71 -1.75 8.97 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.74 2.294 . . . . 65.53 112.332 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.4 mtm180 -60.24 -68.59 0.28 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 74.41 110.9 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.43 ' CD2' ' H ' ' A' ' 21' ' ' HIS . 0.4 OUTLIER -86.52 -14.07 44.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 75.22 110.855 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.472 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 0.3 OUTLIER -48.17 -25.19 1.39 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.26 -0.427 . . . . 72.24 110.854 -179.808 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -62.61 -32.08 73.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 74.33 110.84 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -96.31 -13.54 23.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 61.41 110.924 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.621 ' NE2' HD11 ' A' ' 14' ' ' LEU . 0.9 OUTLIER -89.11 -36.43 15.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 63.51 110.913 179.913 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 70.33 110.886 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 19.0 p90 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.887 0.375 . . . . 64.01 110.952 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -100.01 -37.99 8.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.12 -0.491 . . . . 65.5 110.909 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -52.26 -19.88 2.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 71.11 110.86 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.457 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.3 OUTLIER -61.0 -15.67 34.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 72.43 110.884 -179.927 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.455 ' CD1' ' N ' ' A' ' 6' ' ' HIS . 1.0 OUTLIER -66.92 -35.74 80.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.126 -0.488 . . . . 71.4 110.91 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.455 ' N ' ' CD1' ' A' ' 5' ' ' TRP . 0.2 OUTLIER -110.94 -38.14 5.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 65.23 110.854 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.494 ' O ' HG22 ' A' ' 10' ' ' THR . 9.4 mmp_? -71.72 -65.99 0.69 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 65.5 110.898 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.418 ' H ' ' HA ' ' A' ' 4' ' ' PHE . . . -57.42 -20.41 37.26 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.762 -0.732 . . . . 70.42 112.471 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 4' ' ' PHE . 46.4 t -91.44 -13.47 8.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.916 0.388 . . . . 62.44 111.154 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.726 HG23 HD23 ' A' ' 14' ' ' LEU . 2.1 t -55.04 -18.72 5.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 74.01 111.168 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.42 ' HA ' HD21 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -54.47 -41.71 69.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 75.35 110.858 179.888 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -82.19 -20.86 36.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.287 -0.415 . . . . 71.3 110.872 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -85.52 -18.59 33.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 62.14 110.849 -179.751 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.726 HD23 HG23 ' A' ' 10' ' ' THR . 4.2 pp -100.49 -30.07 12.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 64.43 110.969 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.522 ' N ' ' HD2' ' A' ' 16' ' ' PRO . 0.0 OUTLIER -29.31 -58.91 0.26 Allowed Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.707 0.765 . . . . 72.41 110.88 -179.92 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.522 ' HD2' ' N ' ' A' ' 15' ' ' SER . 53.4 Cg_endo -69.78 56.12 1.36 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.687 2.258 . . . . 65.11 112.351 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -137.11 -168.35 2.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 72.53 110.85 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -47.63 105.29 0.47 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.612 0.72 . . . . 73.22 110.88 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.452 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 54.0 Cg_endo -69.77 -0.39 6.85 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.67 2.246 . . . . 72.4 112.333 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.3 ttt180 -61.25 -66.46 0.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 63.3 110.877 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.512 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 0.4 OUTLIER -87.71 -14.45 39.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 75.14 110.879 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.452 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 0.4 OUTLIER -49.28 -21.89 0.94 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 64.42 110.852 -179.799 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -63.81 -32.11 73.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 74.01 110.845 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.601 ' C ' HD12 ' A' ' 24' ' ' LEU . 3.0 pp -99.29 -12.1 20.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 51.41 110.905 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.582 ' NE2' HD11 ' A' ' 14' ' ' LEU . 0.6 OUTLIER -89.19 -38.8 14.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 53.5 110.913 179.93 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.7 ttm180 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 74.03 110.824 -179.886 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.905 0.384 . . . . 72.22 110.928 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -100.09 -37.73 8.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 75.33 110.951 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -52.23 -19.94 2.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 73.01 110.799 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.459 ' O ' HG23 ' A' ' 9' ' ' VAL . 4.1 m-85 -61.08 -15.64 35.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 72.52 110.831 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.458 ' CD1' ' N ' ' A' ' 6' ' ' HIS . 1.0 OUTLIER -66.88 -35.8 80.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.158 -0.474 . . . . 75.3 110.928 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.458 ' N ' ' CD1' ' A' ' 5' ' ' TRP . 1.0 OUTLIER -110.9 -38.15 5.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 72.14 110.887 179.937 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.529 ' O ' HG22 ' A' ' 10' ' ' THR . 4.1 mmp_? -71.75 -65.84 0.71 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 74.22 110.904 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.418 ' H ' ' HA ' ' A' ' 4' ' ' PHE . . . -57.57 -20.21 37.6 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.755 -0.736 . . . . 61.45 112.461 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 4' ' ' PHE . 46.6 t -91.65 -13.3 8.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.878 0.371 . . . . 73.24 111.124 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.828 HG23 HD23 ' A' ' 14' ' ' LEU . 1.6 t -59.05 -14.44 9.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 54.5 111.196 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.402 ' HA ' HD21 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -51.14 -41.27 59.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 71.03 110.924 179.859 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -83.87 -19.08 35.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 74.13 110.857 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -85.82 -18.16 33.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 64.45 110.864 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.828 HD23 HG23 ' A' ' 10' ' ' THR . 4.5 pp -99.67 -31.72 11.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.1 -0.5 . . . . 61.22 110.955 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.521 ' N ' ' HD2' ' A' ' 16' ' ' PRO . 0.0 OUTLIER -29.46 -58.89 0.26 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.632 0.73 . . . . 73.33 110.836 -179.916 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.521 ' HD2' ' N ' ' A' ' 15' ' ' SER . 53.2 Cg_endo -69.82 57.06 1.47 Allowed 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.697 2.264 . . . . 65.14 112.335 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -140.08 -169.12 2.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 74.12 110.859 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.4 mtp85 -48.38 105.55 0.51 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.556 0.693 . . . . 63.45 110.862 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.423 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 53.7 Cg_endo -69.77 -1.4 8.42 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.668 2.246 . . . . 64.23 112.337 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.46 ' HG3' ' N ' ' A' ' 21' ' ' HIS . 0.2 OUTLIER -61.76 -65.45 0.69 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 55.02 110.896 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.46 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -88.74 -13.0 40.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.145 -0.48 . . . . 74.33 110.852 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.423 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 1.1 t -49.88 -24.54 2.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 54.25 110.874 -179.758 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 52.0 mtt180 -70.65 -28.63 64.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 73.25 110.858 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -98.54 -13.91 20.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 74.34 110.927 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -89.3 -38.53 14.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 72.5 110.9 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 74.32 110.887 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.964 0.411 . . . . 71.21 110.922 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -100.05 -37.8 8.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.087 -0.506 . . . . 74.31 110.919 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 3.8 p-80 -50.98 -23.35 2.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 74.22 110.847 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.464 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.6 OUTLIER -58.85 -16.08 15.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 64.35 110.859 -179.932 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.457 ' CD1' ' N ' ' A' ' 6' ' ' HIS . 1.0 OUTLIER -66.61 -35.44 80.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 74.42 110.921 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.457 ' N ' ' CD1' ' A' ' 5' ' ' TRP . 1.2 t60 -111.42 -38.92 4.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 64.13 110.871 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.48 ' O ' HG22 ' A' ' 10' ' ' THR . 0.2 OUTLIER -71.37 -65.61 0.73 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 71.22 110.868 -179.893 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.443 ' H ' ' HA ' ' A' ' 4' ' ' PHE . . . -57.28 -20.01 34.71 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.721 -0.752 . . . . 74.52 112.515 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 4' ' ' PHE . 46.8 t -91.44 -13.28 8.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.87 0.367 . . . . 71.23 111.122 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.636 HG23 HD23 ' A' ' 14' ' ' LEU . 3.5 t -52.01 -21.18 2.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 73.33 111.149 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.423 ' HA ' HD21 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -51.33 -40.6 59.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 73.23 110.912 179.864 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.2 -21.04 36.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 75.32 110.883 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -85.15 -18.45 34.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 51.31 110.889 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.636 HD23 HG23 ' A' ' 10' ' ' THR . 4.5 pp -100.4 -31.91 11.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.092 -0.504 . . . . 73.11 110.891 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.522 ' N ' ' HD2' ' A' ' 16' ' ' PRO . 0.0 OUTLIER -29.32 -59.01 0.25 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.631 0.729 . . . . 73.11 110.822 -179.936 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.522 ' HD2' ' N ' ' A' ' 15' ' ' SER . 53.7 Cg_endo -69.76 57.17 1.46 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.703 2.269 . . . . 71.41 112.353 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -140.13 -169.01 2.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 75.25 110.783 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.4 mtt-85 -48.3 105.52 0.51 Allowed Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.586 0.708 . . . . 72.23 110.913 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.429 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 54.0 Cg_endo -69.72 -1.31 8.22 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.693 2.262 . . . . 72.24 112.374 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.463 ' HG3' ' N ' ' A' ' 21' ' ' HIS . 0.2 OUTLIER -61.77 -65.54 0.67 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 74.25 110.87 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.463 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -88.75 -12.96 40.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.458 . . . . 74.41 110.827 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.429 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 1.0 OUTLIER -49.89 -24.64 2.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 71.35 110.842 -179.791 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.9 mtm180 -70.33 -28.76 65.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 64.1 110.905 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -98.51 -13.83 20.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 63.24 110.925 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -89.43 -38.59 13.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 62.14 110.862 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 60.52 110.86 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.877 0.37 . . . . 72.42 110.876 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -50.46 -40.26 50.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.113 -0.494 . . . . 75.11 110.934 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -49.9 -24.01 2.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 74.41 110.848 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.462 ' O ' HG23 ' A' ' 9' ' ' VAL . 22.7 t80 -58.36 -16.34 14.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 62.51 110.9 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.466 ' CD1' ' N ' ' A' ' 6' ' ' HIS . 1.0 OUTLIER -66.49 -35.48 80.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 72.02 110.883 -179.925 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.466 ' N ' ' CD1' ' A' ' 5' ' ' TRP . 2.7 t-80 -111.21 -39.03 4.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 74.24 110.83 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.522 ' O ' HG22 ' A' ' 10' ' ' THR . 3.4 mmp_? -71.39 -65.57 0.73 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 73.2 110.895 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.429 ' H ' ' HA ' ' A' ' 4' ' ' PHE . . . -57.41 -19.91 35.27 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.738 -0.744 . . . . 30.44 112.495 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 4' ' ' PHE . 47.3 t -91.5 -13.44 8.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.908 0.385 . . . . 73.5 111.141 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.813 HG23 HD23 ' A' ' 14' ' ' LEU . 1.6 t -59.35 -14.23 11.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 73.44 111.174 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.24 -41.36 60.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 54.23 110.898 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -83.68 -18.43 38.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 73.43 110.888 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.7 -18.05 32.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 52.33 110.848 -179.826 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.813 HD23 HG23 ' A' ' 10' ' ' THR . 4.5 pp -99.69 -31.59 11.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.135 -0.484 . . . . 71.54 110.927 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.515 ' N ' ' HD2' ' A' ' 16' ' ' PRO . 0.0 OUTLIER -29.37 -58.94 0.26 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.634 0.731 . . . . 75.3 110.895 -179.927 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.515 ' HD2' ' N ' ' A' ' 15' ' ' SER . 53.6 Cg_endo -69.78 56.98 1.45 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.705 2.27 . . . . 74.21 112.341 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -139.63 -168.92 2.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 74.25 110.835 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.3 mtt180 -48.11 105.59 0.51 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.573 0.701 . . . . 71.43 110.851 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.437 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 53.9 Cg_endo -69.8 -1.2 8.1 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.656 2.237 . . . . 73.42 112.359 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.8 ttm180 -61.88 -66.19 0.58 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 64.21 110.888 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -87.63 -13.44 42.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 74.41 110.866 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.437 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 0.9 OUTLIER -49.87 -24.44 2.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 74.31 110.824 -179.756 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.5 mtm180 -69.7 -28.88 66.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.481 . . . . 72.32 110.881 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -98.4 -13.93 20.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 75.1 110.883 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -90.26 -36.71 14.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 71.22 110.93 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 73.42 110.855 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.878 0.371 . . . . 74.32 110.93 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -99.92 -38.74 8.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 74.2 110.916 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -51.99 -20.09 2.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.49 . . . . 63.44 110.856 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.465 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.2 OUTLIER -61.09 -15.61 34.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 63.11 110.877 -179.923 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.457 ' CD1' ' N ' ' A' ' 6' ' ' HIS . 1.0 OUTLIER -66.96 -35.81 80.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.144 -0.48 . . . . 60.14 110.917 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.457 ' N ' ' CD1' ' A' ' 5' ' ' TRP . 2.3 t60 -111.01 -38.09 5.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 63.41 110.865 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.501 ' O ' HG22 ' A' ' 10' ' ' THR . 4.8 mmm180 -71.73 -65.89 0.7 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 75.31 110.906 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.433 ' H ' ' HA ' ' A' ' 4' ' ' PHE . . . -57.47 -20.32 37.31 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.709 -0.758 . . . . 33.34 112.487 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 4' ' ' PHE . 46.5 t -91.46 -13.38 8.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.909 0.385 . . . . 75.33 111.102 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.722 HG23 HD23 ' A' ' 14' ' ' LEU . 2.2 t -55.17 -18.61 6.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 73.11 111.165 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.418 ' HA ' HD21 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -55.16 -41.78 72.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 74.44 110.896 179.891 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -82.28 -21.32 36.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 64.11 110.918 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -85.18 -18.35 34.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 74.54 110.844 -179.785 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.722 HD23 HG23 ' A' ' 10' ' ' THR . 4.5 pp -100.24 -31.72 11.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 71.24 110.92 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.522 ' N ' ' HD2' ' A' ' 16' ' ' PRO . 0.0 OUTLIER -29.29 -58.99 0.25 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.692 0.758 . . . . 52.11 110.835 -179.895 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.522 ' HD2' ' N ' ' A' ' 15' ' ' SER . 54.0 Cg_endo -69.8 56.99 1.46 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.674 2.25 . . . . 74.22 112.312 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -139.56 -168.84 2.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 75.51 110.833 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 9.9 mmm180 -48.07 105.55 0.51 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.603 0.716 . . . . 65.14 110.893 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.421 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 53.7 Cg_endo -69.75 -1.18 8.03 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.684 2.256 . . . . 63.01 112.347 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.448 ' NH2' HD11 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -61.56 -65.71 0.65 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 73.33 110.871 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.445 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -88.65 -13.35 40.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 73.31 110.86 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.421 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 0.9 OUTLIER -49.72 -24.62 2.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 62.42 110.877 -179.758 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 13.0 mtt-85 -69.6 -28.9 66.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.114 -0.494 . . . . 74.51 110.82 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.448 HD11 ' NH2' ' A' ' 20' ' ' ARG . 0.6 OUTLIER -98.36 -13.38 20.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 71.43 110.899 -179.919 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -91.21 -35.85 14.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 73.41 110.908 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 75.41 110.917 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 81.2 t80 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.892 0.377 . . . . 65.22 110.921 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -99.77 -37.7 8.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.096 -0.502 . . . . 74.14 110.938 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 3.6 p-80 -50.92 -23.29 2.75 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.129 -0.487 . . . . 73.54 110.865 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.455 ' O ' HG23 ' A' ' 9' ' ' VAL . 5.5 t80 -58.77 -16.25 15.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 73.42 110.896 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.466 ' CD1' ' N ' ' A' ' 6' ' ' HIS . 1.0 OUTLIER -66.38 -35.55 80.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 70.11 110.943 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.466 ' N ' ' CD1' ' A' ' 5' ' ' TRP . 59.0 t-80 -111.26 -38.93 4.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.456 . . . . 55.41 110.885 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.496 ' O ' HG22 ' A' ' 10' ' ' THR . 0.2 OUTLIER -71.22 -65.74 0.71 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 74.52 110.833 -179.869 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.434 ' H ' ' HA ' ' A' ' 4' ' ' PHE . . . -57.42 -19.91 35.33 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.722 -0.752 . . . . 74.13 112.521 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 4' ' ' PHE . 47.6 t -91.41 -13.23 9.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.932 0.396 . . . . 62.3 111.152 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.763 HG23 HD23 ' A' ' 14' ' ' LEU . 1.7 t -58.14 -15.48 9.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 73.0 111.124 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.09 -41.32 59.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 52.34 110.867 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.96 -18.52 36.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 73.52 110.874 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 10.2 t -86.19 -18.26 32.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 64.51 110.862 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.763 HD23 HG23 ' A' ' 10' ' ' THR . 4.2 pp -99.87 -29.88 12.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 72.32 110.898 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.519 ' N ' ' HD2' ' A' ' 16' ' ' PRO . 0.0 OUTLIER -29.8 -58.79 0.28 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.611 0.72 . . . . 64.53 110.862 -179.918 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.519 ' HD2' ' N ' ' A' ' 15' ' ' SER . 53.8 Cg_endo -69.82 56.3 1.39 Allowed 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.681 2.254 . . . . 74.43 112.338 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -137.13 -167.95 2.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.433 . . . . 72.13 110.874 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.2 mtm180 -47.62 105.52 0.5 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.632 0.729 . . . . 72.01 110.832 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.458 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 53.5 Cg_endo -69.76 -1.52 8.6 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.716 2.277 . . . . 61.54 112.301 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -59.34 -68.31 0.29 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 74.13 110.84 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.513 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 0.4 OUTLIER -86.52 -15.11 41.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 70.1 110.852 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.458 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 0.3 OUTLIER -48.52 -22.3 0.71 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.443 . . . . 42.11 110.825 -179.766 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.1 mtm180 -62.13 -32.3 72.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 61.02 110.901 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.581 ' C ' HD12 ' A' ' 24' ' ' LEU . 3.0 pp -98.7 -12.09 21.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 74.23 110.924 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.632 ' NE2' HD11 ' A' ' 14' ' ' LEU . 1.1 tp60 -89.59 -36.9 15.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 72.23 110.9 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 73.31 110.891 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.871 0.367 . . . . 75.45 110.923 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -100.01 -37.84 8.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.123 -0.49 . . . . 74.13 110.912 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 3.9 p-80 -50.88 -23.33 2.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 71.44 110.89 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.463 ' O ' HG23 ' A' ' 9' ' ' VAL . 9.8 m-85 -58.75 -16.16 15.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 62.13 110.88 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.461 ' CD1' ' N ' ' A' ' 6' ' ' HIS . 1.0 OUTLIER -66.57 -35.57 80.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 74.43 110.934 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.461 ' N ' ' CD1' ' A' ' 5' ' ' TRP . 0.2 OUTLIER -111.3 -38.69 4.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 73.41 110.881 179.938 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.463 ' O ' HG22 ' A' ' 10' ' ' THR . 0.2 OUTLIER -71.38 -65.73 0.71 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 72.11 110.868 -179.93 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.433 ' H ' ' HA ' ' A' ' 4' ' ' PHE . . . -57.42 -20.24 36.62 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.711 -0.756 . . . . 54.11 112.49 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 4' ' ' PHE . 46.9 t -91.31 -13.36 9.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.849 0.357 . . . . 65.44 111.113 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.657 HG23 HD23 ' A' ' 14' ' ' LEU . 2.9 t -52.28 -19.72 2.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 53.34 111.116 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.84 -40.79 61.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 74.32 110.908 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -83.21 -17.02 44.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 70.45 110.86 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -89.73 -18.01 27.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 61.14 110.876 -179.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.657 HD23 HG23 ' A' ' 10' ' ' THR . 4.4 pp -99.58 -30.92 11.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.104 -0.498 . . . . 72.32 110.909 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.53 ' N ' ' HD2' ' A' ' 16' ' ' PRO . 0.0 OUTLIER -30.03 -58.43 0.29 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.668 0.747 . . . . 62.41 110.85 -179.934 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.53 ' HD2' ' N ' ' A' ' 15' ' ' SER . 53.9 Cg_endo -69.72 56.03 1.32 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.628 2.219 . . . . 75.05 112.361 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -137.14 -167.88 2.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.238 -0.437 . . . . 73.54 110.867 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.9 mtm180 -47.46 105.46 0.49 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.613 0.72 . . . . 73.21 110.859 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.46 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 53.7 Cg_endo -69.73 -1.43 8.44 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.705 2.27 . . . . 61.0 112.323 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.1 mtt-85 -59.08 -68.45 0.27 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 71.55 110.906 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.504 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 0.4 OUTLIER -86.37 -15.48 40.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 73.52 110.848 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.46 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 0.3 OUTLIER -48.29 -22.36 0.66 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 71.24 110.852 -179.757 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.8 mtt85 -61.4 -32.37 72.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 61.53 110.849 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.583 ' C ' HD12 ' A' ' 24' ' ' LEU . 3.0 pp -98.27 -11.96 22.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 62.1 110.931 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.604 ' NE2' HD11 ' A' ' 14' ' ' LEU . 1.0 OUTLIER -89.41 -36.81 15.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 73.44 110.916 179.908 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 64.4 110.842 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.963 0.411 . . . . 65.24 110.902 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -100.03 -37.77 8.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.104 -0.498 . . . . 71.22 110.904 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -50.93 -23.34 2.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 73.44 110.831 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.467 ' O ' HG23 ' A' ' 9' ' ' VAL . 5.1 t80 -58.9 -16.07 15.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 73.12 110.875 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.462 ' CD1' ' N ' ' A' ' 6' ' ' HIS . 1.0 OUTLIER -66.54 -35.48 80.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.147 -0.479 . . . . 73.32 110.985 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.462 ' N ' ' CD1' ' A' ' 5' ' ' TRP . 4.5 m170 -111.37 -38.83 4.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 71.3 110.881 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.52 ' O ' HG22 ' A' ' 10' ' ' THR . 2.2 mmt-85 -71.47 -65.56 0.74 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.444 . . . . 72.25 110.906 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.427 ' H ' ' HA ' ' A' ' 4' ' ' PHE . . . -57.39 -19.96 35.31 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.732 -0.747 . . . . 44.23 112.467 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 4' ' ' PHE . 47.5 t -91.51 -13.39 8.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.88 0.371 . . . . 73.4 111.119 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.808 HG23 HD23 ' A' ' 14' ' ' LEU . 1.6 t -59.4 -14.18 11.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 61.11 111.113 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.28 -41.39 60.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 73.24 110.914 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -83.67 -18.64 37.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 71.01 110.888 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.27 -18.27 32.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 74.53 110.902 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.808 HD23 HG23 ' A' ' 10' ' ' THR . 4.3 pp -99.98 -29.76 12.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 72.01 110.894 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.521 ' N ' ' HD2' ' A' ' 16' ' ' PRO . 0.0 OUTLIER -29.66 -58.96 0.27 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.644 0.735 . . . . 75.41 110.842 -179.907 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.521 ' HD2' ' N ' ' A' ' 15' ' ' SER . 53.7 Cg_endo -69.78 56.34 1.38 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.654 2.236 . . . . 72.42 112.364 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -137.22 -167.98 2.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.184 -0.462 . . . . 72.12 110.891 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.8 mtp180 -47.66 105.47 0.49 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.642 0.734 . . . . 74.23 110.874 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.453 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 53.3 Cg_endo -69.82 -1.29 8.27 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.664 2.243 . . . . 74.4 112.329 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.1 mtp85 -59.21 -68.42 0.28 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 73.12 110.866 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.505 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 0.4 OUTLIER -86.48 -15.35 40.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 71.43 110.805 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.453 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 0.3 OUTLIER -48.14 -22.55 0.65 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 70.12 110.834 -179.774 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.49 -33.46 73.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 62.43 110.836 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.581 ' C ' HD12 ' A' ' 24' ' ' LEU . 3.1 pp -97.76 -11.89 22.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.259 -0.428 . . . . 54.33 110.913 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.63 ' NE2' HD11 ' A' ' 14' ' ' LEU . 1.1 tp60 -89.4 -36.76 15.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 73.45 110.872 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 74.4 110.893 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 44.4 m-85 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.886 0.374 . . . . 70.35 110.923 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -100.08 -37.68 8.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.109 -0.496 . . . . 61.32 110.89 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -52.29 -19.86 2.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 71.23 110.864 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.461 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.2 OUTLIER -61.01 -15.7 34.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 73.22 110.904 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.457 ' CD1' ' N ' ' A' ' 6' ' ' HIS . 1.0 OUTLIER -66.92 -35.72 80.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.482 . . . . 74.42 110.928 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.457 ' N ' ' CD1' ' A' ' 5' ' ' TRP . 0.2 OUTLIER -110.92 -38.23 5.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 71.21 110.847 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.501 ' O ' HG22 ' A' ' 10' ' ' THR . 8.8 mmm180 -71.77 -65.87 0.71 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 73.31 110.855 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.432 ' H ' ' HA ' ' A' ' 4' ' ' PHE . . . -57.52 -20.18 37.12 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.688 -0.768 . . . . 73.24 112.474 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 4' ' ' PHE . 46.8 t -91.51 -13.45 8.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.925 0.393 . . . . 72.04 111.101 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.727 HG23 HD23 ' A' ' 14' ' ' LEU . 2.2 t -55.0 -18.75 5.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 73.42 111.154 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.429 ' HA ' HD21 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -54.64 -41.72 70.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 71.5 110.942 179.872 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -82.25 -21.13 36.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 73.01 110.899 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -85.2 -18.45 34.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 54.03 110.882 -179.82 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.727 HD23 HG23 ' A' ' 10' ' ' THR . 4.4 pp -100.27 -31.17 11.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 71.44 110.926 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.522 ' N ' ' HD2' ' A' ' 16' ' ' PRO . 0.0 OUTLIER -28.4 -58.94 0.23 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.683 0.754 . . . . 72.4 110.876 -179.942 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.522 ' HD2' ' N ' ' A' ' 15' ' ' SER . 53.8 Cg_endo -69.74 58.28 1.54 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.689 2.259 . . . . 62.23 112.316 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -142.87 -168.97 2.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.434 . . . . 73.12 110.852 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.26 106.1 0.57 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.557 0.694 . . . . 75.25 110.905 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.404 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 53.7 Cg_endo -69.79 -0.87 7.56 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.705 2.27 . . . . 73.2 112.338 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.448 ' HG3' ' N ' ' A' ' 21' ' ' HIS . 0.2 OUTLIER -61.57 -65.06 0.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 71.54 110.881 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.692 ' HB2' HD11 ' A' ' 24' ' ' LEU . 0.4 OUTLIER -89.07 -12.66 40.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 75.13 110.879 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.404 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 0.9 OUTLIER -52.54 -21.07 3.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 62.25 110.896 -179.842 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.9 mtt180 -78.02 -27.9 49.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.084 -0.507 . . . . 62.32 110.89 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.692 HD11 ' HB2' ' A' ' 21' ' ' HIS . 3.3 pp -101.99 -12.01 18.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.479 . . . . 64.33 110.955 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.517 ' N ' HD12 ' A' ' 24' ' ' LEU . 1.1 tp60 -90.38 -37.19 14.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 70.35 110.937 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 71.21 110.868 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.885 0.374 . . . . 71.35 110.888 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -100.07 -38.01 8.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.106 -0.497 . . . . 75.13 110.887 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -52.25 -19.87 2.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 73.14 110.862 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.465 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.2 OUTLIER -61.04 -15.62 34.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 75.55 110.922 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.455 ' CD1' ' N ' ' A' ' 6' ' ' HIS . 1.0 OUTLIER -66.99 -35.75 80.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.109 -0.496 . . . . 74.53 110.91 -179.922 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.455 ' N ' ' CD1' ' A' ' 5' ' ' TRP . 6.2 m170 -110.96 -38.14 5.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 74.25 110.876 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.505 ' O ' HG22 ' A' ' 10' ' ' THR . 22.7 mmm180 -71.76 -65.89 0.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 73.23 110.91 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.423 ' H ' ' HA ' ' A' ' 4' ' ' PHE . . . -57.51 -20.38 37.8 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.711 -0.757 . . . . 75.51 112.461 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 4' ' ' PHE . 46.3 t -91.45 -13.43 8.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.929 0.395 . . . . 72.45 111.12 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.765 HG23 HD23 ' A' ' 14' ' ' LEU . 1.9 t -55.9 -17.87 7.57 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.198 -0.456 . . . . 73.51 111.141 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.42 ' HA ' HD21 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -55.34 -41.7 72.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 65.31 110.916 179.863 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -82.83 -19.26 37.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 72.13 110.903 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -88.24 -18.04 29.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 71.42 110.82 -179.812 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.765 HD23 HG23 ' A' ' 10' ' ' THR . 4.3 pp -99.7 -30.72 11.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.18 -0.464 . . . . 53.55 110.941 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.533 ' N ' ' HD2' ' A' ' 16' ' ' PRO . 0.1 OUTLIER -29.8 -58.22 0.29 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.664 0.745 . . . . 61.0 110.85 -179.906 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.533 ' HD2' ' N ' ' A' ' 15' ' ' SER . 54.0 Cg_endo -69.76 55.88 1.32 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.679 2.253 . . . . 74.03 112.348 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -137.12 -168.35 2.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 54.13 110.818 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 37.7 mtt180 -47.5 105.29 0.47 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.588 0.708 . . . . 70.2 110.863 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.441 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 54.5 Cg_endo -69.72 -0.34 6.74 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.701 2.268 . . . . 72.45 112.372 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.24 -66.45 0.53 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 71.35 110.842 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.509 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 0.4 OUTLIER -87.74 -14.58 39.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 71.5 110.847 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.441 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 0.4 OUTLIER -49.2 -21.9 0.89 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 51.33 110.825 -179.761 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.5 mmt85 -63.7 -32.09 73.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 53.45 110.878 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.595 ' C ' HD12 ' A' ' 24' ' ' LEU . 3.0 pp -99.29 -11.63 21.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 72.15 110.909 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.654 ' NE2' HD11 ' A' ' 14' ' ' LEU . 1.0 OUTLIER -91.16 -35.98 14.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 74.3 110.882 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 73.02 110.831 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.887 0.375 . . . . 63.3 110.915 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -100.03 -37.23 9.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.111 -0.495 . . . . 63.12 110.927 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -51.73 -20.71 2.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 65.02 110.852 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.489 ' O ' HG23 ' A' ' 9' ' ' VAL . 3.4 m-85 -60.45 -14.15 17.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 64.21 110.909 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.457 ' CD1' ' N ' ' A' ' 6' ' ' HIS . 1.0 OUTLIER -69.29 -35.71 76.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.127 -0.488 . . . . 75.25 110.876 -179.917 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.457 ' N ' ' CD1' ' A' ' 5' ' ' TRP . 0.0 OUTLIER -112.07 -35.52 5.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 71.32 110.844 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.586 ' O ' HG22 ' A' ' 10' ' ' THR . 0.0 OUTLIER -89.65 -32.6 16.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 73.14 110.904 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -89.32 -15.55 58.61 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.742 -0.742 . . . . 55.22 112.495 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 4' ' ' PHE . 76.4 t -91.1 -20.44 6.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.927 0.394 . . . . 72.11 111.156 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.586 HG22 ' O ' ' A' ' 7' ' ' ARG . 14.7 t -57.82 -17.1 13.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 70.33 111.108 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.419 ' HA ' HD21 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -56.05 -42.32 76.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 72.44 110.94 179.898 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.6 ptm180 -82.21 -20.32 37.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 74.21 110.861 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -85.98 -18.39 32.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 63.13 110.875 -179.776 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.491 ' O ' ' C ' ' A' ' 15' ' ' SER . 4.5 pp -100.0 -32.57 10.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 75.43 110.908 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.542 ' N ' ' HD2' ' A' ' 16' ' ' PRO . 0.1 OUTLIER -29.88 -57.78 0.3 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.667 0.746 . . . . 73.43 110.865 -179.898 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.542 ' HD2' ' N ' ' A' ' 15' ' ' SER . 53.9 Cg_endo -69.75 56.33 1.37 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.699 2.266 . . . . 61.32 112.337 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -140.03 -167.86 2.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 65.21 110.871 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.429 ' HA ' ' HD2' ' A' ' 19' ' ' PRO . 0.4 OUTLIER -48.0 105.46 0.5 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.596 0.712 . . . . 72.23 110.901 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.443 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 53.4 Cg_endo -69.78 -2.02 9.48 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.699 2.266 . . . . 72.45 112.34 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.3 mtm180 -60.56 -68.22 0.32 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 72.25 110.846 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.417 ' CD2' ' H ' ' A' ' 21' ' ' HIS . 0.4 OUTLIER -86.4 -13.41 46.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 72.4 110.866 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.443 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 0.5 OUTLIER -49.54 -24.66 2.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 65.33 110.861 -179.801 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 73.2 mtt180 -68.77 -29.18 67.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.478 . . . . 72.21 110.879 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -98.16 -13.92 20.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 72.52 110.913 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -90.31 -36.75 14.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 64.23 110.913 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 71.23 110.848 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.935 0.397 . . . . 72.15 110.959 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -100.0 -37.86 8.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.116 -0.493 . . . . 74.35 110.905 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 3.8 p-80 -50.93 -23.35 2.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.101 -0.5 . . . . 74.14 110.859 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.467 ' O ' HG23 ' A' ' 9' ' ' VAL . 23.4 t80 -58.87 -16.04 15.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 74.24 110.909 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.464 ' CD1' ' N ' ' A' ' 6' ' ' HIS . 1.0 OUTLIER -66.61 -35.42 80.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.08 -0.509 . . . . 74.32 110.954 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.464 ' N ' ' CD1' ' A' ' 5' ' ' TRP . 22.7 t60 -111.45 -38.86 4.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.438 . . . . 63.14 110.865 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.507 ' O ' HG22 ' A' ' 10' ' ' THR . 0.2 OUTLIER -71.47 -65.57 0.74 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.43 . . . . 74.23 110.871 -179.931 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.431 ' H ' ' HA ' ' A' ' 4' ' ' PHE . . . -57.36 -19.85 34.63 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.742 -0.742 . . . . 45.23 112.481 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 4' ' ' PHE . 47.5 t -91.45 -13.35 8.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.933 0.397 . . . . 55.3 111.146 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.801 HG23 HD23 ' A' ' 14' ' ' LEU . 2.0 t -57.14 -15.97 6.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 71.53 111.154 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.425 ' HA ' HD21 ' A' ' 14' ' ' LEU . 3.4 pttt -50.59 -41.05 54.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 73.1 110.909 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -83.79 -21.06 32.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 72.24 110.896 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -83.35 -18.59 38.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 61.24 110.836 -179.772 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.801 HD23 HG23 ' A' ' 10' ' ' THR . 4.1 pp -100.18 -30.55 11.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 73.43 110.909 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.541 ' N ' ' HD2' ' A' ' 16' ' ' PRO . 0.0 OUTLIER -30.13 -57.68 0.31 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.702 0.763 . . . . 61.54 110.936 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.541 ' HD2' ' N ' ' A' ' 15' ' ' SER . 54.0 Cg_endo -69.73 55.29 1.25 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.64 2.227 . . . . 65.21 112.409 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -137.28 -167.52 2.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 74.31 110.865 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 9.6 mtp180 -47.26 105.11 0.45 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.629 0.728 . . . . 73.43 110.908 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.449 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 53.9 Cg_endo -69.72 -1.1 7.86 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.688 2.259 . . . . 72.44 112.354 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.46 ' HG3' ' N ' ' A' ' 21' ' ' HIS . 0.3 OUTLIER -61.55 -66.36 0.55 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 63.3 110.873 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.46 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -88.6 -13.43 39.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 55.42 110.908 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.449 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 0.5 OUTLIER -48.87 -24.91 1.63 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 63.42 110.868 -179.799 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 56.1 mtt180 -64.83 -30.5 71.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 64.43 110.891 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -97.79 -13.58 21.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 72.43 110.921 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.575 ' NE2' HD11 ' A' ' 14' ' ' LEU . 0.5 OUTLIER -89.39 -38.2 14.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 63.0 110.897 179.915 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 71.22 110.858 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.925 0.393 . . . . 75.33 110.894 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -100.06 -37.87 8.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 74.13 110.93 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -50.95 -23.25 2.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.054 -0.521 . . . . 72.45 110.888 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.467 ' O ' HG23 ' A' ' 9' ' ' VAL . 1.7 t80 -58.93 -16.06 15.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 74.24 110.876 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.464 ' CD1' ' N ' ' A' ' 6' ' ' HIS . 1.0 OUTLIER -66.66 -35.44 80.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 74.34 110.915 -179.94 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.464 ' N ' ' CD1' ' A' ' 5' ' ' TRP . 14.9 t60 -111.31 -38.79 4.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.281 -0.418 . . . . 72.42 110.899 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.542 ' O ' HG22 ' A' ' 10' ' ' THR . 2.1 mmp_? -71.48 -65.66 0.73 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 63.0 110.892 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.426 ' H ' ' HA ' ' A' ' 4' ' ' PHE . . . -57.39 -19.97 35.34 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.727 -0.749 . . . . 74.15 112.475 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 4' ' ' PHE . 47.3 t -91.53 -13.46 8.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.859 0.361 . . . . 51.02 111.104 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.838 HG23 HD23 ' A' ' 14' ' ' LEU . 1.5 t -60.57 -13.37 13.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 61.41 111.163 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.42 ' HA ' HD21 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -50.1 -41.23 48.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 75.42 110.878 179.891 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.53 -20.1 32.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 71.41 110.883 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.8 t -83.86 -18.3 37.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 73.21 110.903 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.838 HD23 HG23 ' A' ' 10' ' ' THR . 4.3 pp -99.73 -30.46 12.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.087 -0.506 . . . . 75.02 110.907 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.542 ' N ' ' HD2' ' A' ' 16' ' ' PRO . 0.0 OUTLIER -29.95 -57.8 0.3 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.66 0.743 . . . . 72.1 110.839 -179.946 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.542 ' HD2' ' N ' ' A' ' 15' ' ' SER . 53.4 Cg_endo -69.82 55.24 1.28 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.691 2.26 . . . . 72.54 112.311 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -137.09 -167.39 2.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 75.01 110.892 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.6 mtt180 -47.44 105.17 0.46 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.637 0.732 . . . . 74.51 110.878 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.451 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 53.3 Cg_endo -69.73 -1.69 8.89 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.667 2.245 . . . . 75.33 112.361 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.5 mtm180 -59.13 -68.61 0.26 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 61.4 110.817 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.509 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 0.4 OUTLIER -86.36 -15.19 41.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 73.23 110.85 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.451 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 0.3 OUTLIER -48.52 -22.34 0.72 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 71.25 110.867 -179.771 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.41 -32.23 73.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.091 -0.504 . . . . 64.12 110.873 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.595 ' C ' HD12 ' A' ' 24' ' ' LEU . 2.9 pp -98.65 -11.99 21.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.439 . . . . 72.45 110.929 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.638 ' NE2' HD11 ' A' ' 14' ' ' LEU . 1.1 tp60 -89.82 -37.05 14.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 75.11 110.873 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 75.34 110.858 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 76.9 m-85 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.898 0.38 . . . . 64.01 110.925 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -100.06 -37.78 8.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 72.42 110.923 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 4.0 p-80 -50.92 -23.38 2.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 65.25 110.887 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.466 ' O ' HG23 ' A' ' 9' ' ' VAL . 0.9 OUTLIER -58.79 -16.07 15.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 65.52 110.89 -179.916 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.468 ' CD1' ' N ' ' A' ' 6' ' ' HIS . 1.0 OUTLIER -66.61 -35.55 80.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.138 -0.483 . . . . 74.13 110.923 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.468 ' N ' ' CD1' ' A' ' 5' ' ' TRP . 1.8 t60 -111.36 -38.75 4.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 73.42 110.894 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.486 ' O ' HG22 ' A' ' 10' ' ' THR . 2.1 mmt-85 -71.47 -65.6 0.73 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 71.51 110.9 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.428 ' H ' ' HA ' ' A' ' 4' ' ' PHE . . . -57.47 -20.03 36.17 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.719 -0.753 . . . . 63.33 112.507 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 4' ' ' PHE . 47.7 t -91.44 -13.29 8.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.89 0.376 . . . . 73.21 111.109 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.735 HG23 HD23 ' A' ' 14' ' ' LEU . 2.0 t -56.1 -16.88 5.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 63.32 111.128 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.26 -41.23 60.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 72.13 110.873 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.41 -18.81 37.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 64.31 110.801 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.8 t -86.18 -18.5 32.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 71.11 110.862 -179.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.735 HD23 HG23 ' A' ' 10' ' ' THR . 4.2 pp -100.05 -29.7 12.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.115 -0.493 . . . . 74.31 110.904 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.52 ' N ' ' HD2' ' A' ' 16' ' ' PRO . 0.0 OUTLIER -29.56 -58.9 0.27 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.689 0.757 . . . . 70.23 110.881 -179.951 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.52 ' HD2' ' N ' ' A' ' 15' ' ' SER . 54.1 Cg_endo -69.75 56.07 1.34 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.687 2.258 . . . . 71.22 112.343 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -136.76 -168.24 2.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 73.51 110.848 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.8 mtm180 -47.47 105.28 0.47 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.632 0.73 . . . . 73.11 110.853 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.451 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 54.2 Cg_endo -69.76 -0.42 6.88 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.716 2.278 . . . . 54.2 112.39 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.8 ttm180 -61.37 -66.46 0.53 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 75.24 110.856 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.508 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 0.4 OUTLIER -87.7 -14.47 39.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 75.0 110.867 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.451 ' HB2' ' HA ' ' A' ' 19' ' ' PRO . 0.4 OUTLIER -49.2 -21.87 0.88 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 61.22 110.862 -179.784 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 89.2 mtt-85 -63.52 -32.21 73.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 71.02 110.811 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.594 ' C ' HD12 ' A' ' 24' ' ' LEU . 3.0 pp -99.22 -12.1 20.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 75.31 110.95 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.641 ' NE2' HD11 ' A' ' 14' ' ' LEU . 1.0 OUTLIER -90.13 -36.71 14.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 63.14 110.916 179.897 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 71.14 110.886 -179.936 . . . . . . . . 1 1 . 1 stop_ save_