data_2g6u_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2g6u _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.762 0.315 . . . . 0.0 111.188 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 29.1 t -96.85 89.59 4.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 23.3 p -97.33 27.98 3.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.755 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 50.7 m170 -84.46 143.83 42.18 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -53.65 -23.8 27.31 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.216 1.944 . . . . 0.0 111.777 179.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -72.49 -36.59 68.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.795 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.6 m -75.63 -30.48 59.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.947 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 114.11 38.09 1.17 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.427 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.57 91.42 0.28 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.828 0.347 . . . . 0.0 110.924 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 15.3 m -57.72 -29.3 34.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.205 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -110.06 131.11 55.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -57.93 122.72 13.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.959 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.904 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 53.5 mtm-85 . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.839 0.352 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.435 ' HA ' ' CE1' ' A' ' 4' ' ' HIS . 0.5 OUTLIER -91.01 70.47 6.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.805 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 12.1 t -97.7 27.98 4.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.929 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.435 ' CE1' ' HA ' ' A' ' 2' ' ' CYS . 1.4 m80 -90.25 149.23 40.88 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.91 -179.787 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_exo -50.99 -46.78 28.88 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.543 2.162 . . . . 0.0 112.325 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.07 -30.91 68.42 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.695 179.761 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -84.91 -31.52 23.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.773 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 128.94 65.03 0.11 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.43 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.95 87.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.889 0.376 . . . . 0.0 110.865 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.7 p -112.13 -31.65 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.164 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -98.71 132.43 44.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -60.0 119.56 8.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.9 m . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 179.999 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.486 1.375 0 CA-C-O 120.878 0.371 . . . . 0.0 111.106 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.432 ' HA ' ' CE1' ' A' ' 4' ' ' HIS . 0.6 OUTLIER -85.02 71.91 10.88 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.827 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -98.1 28.02 4.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.936 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.432 ' CE1' ' HA ' ' A' ' 2' ' ' CYS . 1.6 m80 -90.2 149.11 40.75 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.052 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -51.18 -45.95 33.98 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.576 2.184 . . . . 0.0 112.35 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -59.7 -31.42 69.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.75 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -82.81 -41.31 19.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 129.27 73.13 0.14 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.476 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.77 74.81 1.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.839 0.352 . . . . 0.0 110.866 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 26.0 t -99.34 -31.58 3.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.032 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -97.52 133.79 41.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.843 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.38 92.1 0.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.59 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.2 m . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.926 -179.918 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 9.3 ttp180 . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.852 0.358 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.5 t -106.69 83.12 1.81 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.953 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -97.15 29.31 3.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.709 179.777 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 45.4 m170 -79.96 140.58 54.09 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.887 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -53.96 -23.76 29.27 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.228 1.952 . . . . 0.0 111.763 179.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -82.47 -35.55 27.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.743 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -67.23 -50.68 59.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.836 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 135.07 44.08 0.11 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.469 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -71.97 87.96 1.05 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.824 0.345 . . . . 0.0 110.908 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 4.5 m -62.9 -30.9 50.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.196 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -103.83 131.98 50.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.867 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -60.13 121.33 11.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 179.967 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 35.4 mtm180 . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.829 0.347 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 22.7 t -88.94 89.72 8.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.962 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -97.26 28.29 3.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.749 179.744 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 46.8 m170 -80.01 143.82 58.06 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -54.06 -23.6 29.38 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.321 2.014 . . . . 0.0 111.752 179.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -77.65 -38.02 48.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.77 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.2 m -69.77 -30.58 68.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.901 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 111.08 51.69 0.59 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.445 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.29 83.74 6.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.823 0.344 . . . . 0.0 110.925 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.5 t -69.9 -29.8 41.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.097 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -89.91 135.12 33.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.892 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -54.99 106.66 0.24 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.017 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.1 m . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 -179.97 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.821 0.343 . . . . 0.0 111.202 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.4 t -116.51 48.32 1.29 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 9.1 t -90.99 60.13 4.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.14 179.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.42 ' HB3' ' HD2' ' A' ' 5' ' ' PRO . 0.2 OUTLIER -146.15 172.06 5.72 Favored Pre-proline 0 N--CA 1.452 -0.371 0 CA-C-O 121.376 0.607 . . . . 0.0 112.063 -178.792 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.42 ' HD2' ' HB3' ' A' ' 4' ' ' HIS . 68.2 Cg_exo -48.23 -34.96 25.71 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 123.326 2.684 . . . . 0.0 112.491 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -57.61 -31.19 65.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.042 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.3 m -108.39 -30.11 8.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 125.57 72.04 0.2 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.444 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -68.9 71.06 0.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.878 0.37 . . . . 0.0 110.922 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.6 t -126.64 -43.47 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.135 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -90.01 133.55 34.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.849 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -56.11 101.83 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.03 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 12.2 m . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.973 179.992 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.793 0.33 . . . . 0.0 111.181 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.8 t -112.84 79.96 1.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.934 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.1 t -97.19 28.58 3.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.768 179.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 45.7 m170 -79.95 139.67 53.66 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.924 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -54.22 -23.52 30.08 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.263 1.976 . . . . 0.0 111.847 179.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -84.07 -36.06 23.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.801 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.41 -31.0 71.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 106.75 49.99 0.87 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.469 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -75.61 63.98 1.62 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.911 0.386 . . . . 0.0 110.896 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 4.4 m -63.6 -30.05 48.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.187 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -101.97 132.87 47.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -58.61 97.35 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.956 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 24.6 p . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.937 179.98 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 24.6 mtp180 . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.779 0.323 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.432 ' HA ' ' CE1' ' A' ' 4' ' ' HIS . 0.6 OUTLIER -87.78 72.77 9.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.828 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.7 t -97.85 27.85 4.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.992 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.432 ' CE1' ' HA ' ' A' ' 2' ' ' CYS . 1.4 m80 -90.22 148.24 38.76 Favored Pre-proline 0 N--CA 1.453 -0.31 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.979 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -51.89 -44.53 44.46 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.532 2.154 . . . . 0.0 112.278 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -60.28 -31.43 70.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.784 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -81.46 -45.32 16.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 135.88 61.2 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.468 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.71 80.5 1.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.856 0.36 . . . . 0.0 110.879 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.0 p -110.76 -31.59 2.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.124 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -96.07 133.79 39.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.32 105.67 0.31 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.1 m . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 -179.945 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.823 0.344 . . . . 0.0 111.182 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 23.5 t -79.95 97.69 6.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.97 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 29.9 t -97.14 26.71 4.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.759 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 49.4 m170 -81.11 137.36 49.51 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.943 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_exo -54.73 -23.19 32.09 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.283 1.989 . . . . 0.0 111.959 179.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -79.06 -38.98 35.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.889 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.1 m -60.25 -29.7 68.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.9 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 102.14 38.31 3.13 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.491 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.97 89.89 0.8 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.796 0.332 . . . . 0.0 110.958 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.8 t -76.15 -30.4 20.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.087 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -89.98 134.99 33.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.819 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -55.82 106.52 0.26 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.025 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.6 p . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 -179.992 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.4 tpt180 . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.824 0.345 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.422 ' HA ' ' CE1' ' A' ' 4' ' ' HIS . 0.6 OUTLIER -85.37 73.11 10.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.857 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 22.4 t -98.08 28.03 4.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.979 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.422 ' CE1' ' HA ' ' A' ' 2' ' ' CYS . 1.3 m80 -90.41 148.92 40.01 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.973 -179.784 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -51.36 -47.22 27.07 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.569 2.179 . . . . 0.0 112.268 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.86 -30.59 67.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.794 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -83.59 -38.21 21.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.845 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 128.79 57.35 0.11 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.426 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -66.28 78.12 0.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.888 0.375 . . . . 0.0 110.871 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 10.5 p -102.8 -30.86 2.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.011 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -93.76 134.11 36.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -59.34 119.89 8.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.954 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 32.0 p . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.882 -179.954 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.839 0.352 . . . . 0.0 111.157 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.431 ' HA ' ' CE1' ' A' ' 4' ' ' HIS . 0.6 OUTLIER -91.98 72.83 5.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.845 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.7 t -97.66 27.77 4.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.948 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.431 ' CE1' ' HA ' ' A' ' 2' ' ' CYS . 1.3 m80 -90.31 148.13 38.37 Favored Pre-proline 0 N--CA 1.453 -0.309 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.937 -179.815 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -52.09 -44.41 45.98 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.637 2.225 . . . . 0.0 112.273 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 20.7 tm0? -60.4 -31.47 70.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.806 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -80.92 -35.04 32.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.838 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 124.27 54.06 0.19 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.481 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.07 88.46 0.79 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.829 0.347 . . . . 0.0 110.904 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 12.2 p -110.54 -31.17 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.076 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -101.09 132.95 46.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.92 114.94 2.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.004 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 10.9 m . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.949 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 4.9 ptt-85 . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.936 0.398 . . . . 0.0 111.124 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 25.2 t -80.01 89.75 5.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.913 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 13.9 t -97.06 27.43 4.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.807 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 46.9 m170 -79.98 143.8 58.12 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -53.82 -23.98 29.19 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.248 1.965 . . . . 0.0 111.757 179.437 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -76.27 -37.54 57.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.733 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.3 m -71.56 -31.16 66.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.859 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 118.21 43.7 0.55 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.419 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.09 77.65 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.864 0.364 . . . . 0.0 110.982 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 10.8 p -92.57 -31.11 4.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.009 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -99.02 133.5 43.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.808 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -56.42 95.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.968 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 23.9 p . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.934 -179.994 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.846 0.355 . . . . 0.0 111.149 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.433 ' HA ' ' CE1' ' A' ' 4' ' ' HIS . 0.5 OUTLIER -88.97 72.6 8.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.826 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.6 t -97.9 27.61 4.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.011 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.433 ' CE1' ' HA ' ' A' ' 2' ' ' CYS . 1.4 m80 -89.52 149.04 41.67 Favored Pre-proline 0 N--CA 1.453 -0.318 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.949 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_exo -50.94 -48.11 22.47 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.542 2.161 . . . . 0.0 112.358 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -59.12 -30.17 67.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -84.17 -48.18 10.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 137.22 67.08 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.367 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.22 92.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.858 0.361 . . . . 0.0 111.023 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.4 t -97.13 -31.17 3.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.059 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -101.85 132.83 47.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -58.71 91.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.977 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 49.3 m . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.853 -179.994 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 13.8 ttm180 . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.812 0.339 . . . . 0.0 111.182 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 2.0 t -87.46 80.1 8.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.962 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.7 t -97.2 29.06 3.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.74 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 45.6 m170 -79.97 139.91 53.68 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.898 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -54.21 -23.56 30.24 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.271 1.981 . . . . 0.0 111.782 179.498 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.9 mp0 -84.15 -35.8 23.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.826 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.95 -48.84 69.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.906 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 132.88 49.5 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.443 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 1.3 ptp -60.26 86.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.847 0.356 . . . . 0.0 110.878 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.5 t -90.49 -31.28 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.058 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -106.56 131.65 53.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -59.2 89.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.959 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 7.5 p . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.921 179.977 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 5.0 ptt85 . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.793 0.33 . . . . 0.0 111.181 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.421 ' HA ' ' CE1' ' A' ' 4' ' ' HIS . 0.7 OUTLIER -79.94 72.72 6.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.841 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 24.8 t -97.63 27.79 4.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.421 ' CE1' ' HA ' ' A' ' 2' ' ' CYS . 1.4 m80 -90.32 147.56 37.07 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.974 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -52.64 -41.42 69.02 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.526 2.151 . . . . 0.0 112.255 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -62.13 -31.82 72.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -79.62 -62.57 1.65 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 146.22 61.78 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.495 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 2.6 ptp -67.72 91.22 0.3 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.788 0.328 . . . . 0.0 110.901 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.5 t -86.39 -32.47 6.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -109.01 130.28 55.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.925 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -60.33 86.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.2 p . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 179.951 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.782 0.325 . . . . 0.0 111.221 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.428 ' HA ' ' CE1' ' A' ' 4' ' ' HIS . 0.5 OUTLIER -86.53 75.04 9.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.842 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 30.8 t -96.75 34.29 1.71 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.845 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.428 ' CE1' ' HA ' ' A' ' 2' ' ' CYS . 1.2 m80 -98.36 148.21 34.2 Favored Pre-proline 0 N--CA 1.451 -0.406 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.943 -179.705 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -52.85 -50.04 15.44 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.566 2.177 . . . . 0.0 112.425 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -58.49 -29.67 66.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.052 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -81.78 -64.83 1.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 168.62 40.63 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.332 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.73 76.73 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.833 0.349 . . . . 0.0 110.903 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -104.98 -30.87 2.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.061 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -102.57 132.74 48.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -58.02 109.59 0.77 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.943 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 19.4 p . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.991 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 54.7 ttt180 . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.76 0.314 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 53.0 t -102.82 118.18 36.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.975 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.8 p -111.39 17.46 20.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.04 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 31.8 m170 -80.0 143.83 58.12 Favored Pre-proline 0 N--CA 1.454 -0.254 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.88 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_exo -54.78 -22.86 31.05 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.158 1.905 . . . . 0.0 111.844 179.423 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -66.3 -47.1 74.7 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.877 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 8.2 p -84.61 -43.78 14.11 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.951 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 149.45 79.69 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.516 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 9.4 ptm -58.89 87.82 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.946 0.403 . . . . 0.0 111.031 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 28.5 t -110.16 -32.84 2.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.137 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -106.26 117.12 33.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.26 79.3 0.05 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.991 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.6 p . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 -179.988 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 27.3 ttm180 . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.809 0.338 . . . . 0.0 111.181 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.444 ' HA ' ' CE1' ' A' ' 4' ' ' HIS . 0.5 OUTLIER -88.73 61.4 5.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.803 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 9.7 t -94.92 39.31 1.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.863 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.444 ' CE1' ' HA ' ' A' ' 2' ' ' CYS . 1.4 m80 -103.57 149.63 37.26 Favored Pre-proline 0 N--CA 1.45 -0.455 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.955 -179.584 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_exo -50.65 -44.32 41.09 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.528 2.152 . . . . 0.0 112.271 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -64.19 -23.49 67.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -97.04 23.32 7.4 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.004 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 84.92 -57.34 5.01 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.356 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 3.7 tmm? 43.79 21.39 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.7 m -59.05 -29.91 42.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.8 0.333 . . . . 0.0 111.19 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -93.08 125.09 37.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -60.56 121.26 11.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.903 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 32.0 p . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 179.958 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 23.2 mtt180 . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.811 0.339 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.3 t -91.63 73.23 5.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.6 t -97.3 29.79 3.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.665 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 43.4 m170 -79.99 141.78 55.12 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.853 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -53.39 -24.27 27.09 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.233 1.956 . . . . 0.0 111.625 179.346 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -84.01 -34.24 24.36 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.641 179.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -73.53 -54.9 7.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.826 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 149.48 65.91 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.406 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.43 92.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.803 0.335 . . . . 0.0 110.956 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 28.7 t -108.07 -31.03 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.019 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -98.11 133.53 42.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.2 94.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.95 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.8 p . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 179.97 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 4.8 tpt180 . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.785 0.326 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.432 ' HA ' ' CE1' ' A' ' 4' ' ' HIS . 0.5 OUTLIER -87.77 72.79 9.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 10.2 t -97.78 27.82 4.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.012 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.432 ' CE1' ' HA ' ' A' ' 2' ' ' CYS . 1.4 m80 -89.93 148.87 40.66 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.93 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -51.29 -47.31 26.54 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.587 2.192 . . . . 0.0 112.376 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -59.58 -30.19 68.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -83.55 -65.5 1.0 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 164.63 73.06 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.443 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.419 ' HG2' ' O ' ' A' ' 9' ' ' MET . 0.0 OUTLIER -85.84 33.06 0.59 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.788 0.328 . . . . 0.0 111.518 -179.821 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 28.9 t -75.54 -31.02 22.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.838 0.352 . . . . 0.0 111.084 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -97.83 130.5 44.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -60.14 99.71 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 32.1 p . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.993 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 8.6 ttp180 . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.836 0.35 . . . . 0.0 111.223 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.414 ' HA ' ' CE1' ' A' ' 4' ' ' HIS . 0.5 OUTLIER -89.27 72.92 8.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.796 -179.959 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.7 t -97.83 27.91 4.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.97 -179.919 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.414 ' CE1' ' HA ' ' A' ' 2' ' ' CYS . 1.3 m80 -90.28 148.61 39.53 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.93 -179.819 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -51.53 -46.66 30.32 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.595 2.196 . . . . 0.0 112.337 179.967 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -59.63 -30.44 68.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.841 179.931 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -83.18 -31.62 27.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 120.13 52.1 0.26 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.361 -179.951 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.27 92.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.795 0.331 . . . . 0.0 110.985 -179.914 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.5 t -79.51 -31.17 13.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.075 179.917 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -113.56 129.91 56.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 179.911 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -58.73 102.13 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.964 -179.98 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 40.2 m . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 180.0 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.81 0.338 . . . . 0.0 111.164 . . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 30.0 t -82.33 87.88 6.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -96.96 29.99 2.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.737 179.717 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 45.6 m170 -79.97 145.53 61.6 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.872 -179.942 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -53.39 -24.37 27.44 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.27 1.98 . . . . 0.0 111.659 179.372 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -78.07 -36.6 48.06 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.687 179.711 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.3 m -73.87 -31.2 63.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.845 179.976 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 107.99 61.42 0.55 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.255 -179.884 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.15 66.01 0.27 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.833 0.349 . . . . 0.0 111.01 -179.844 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 5.2 m -68.52 -31.52 51.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.973 179.858 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -100.91 133.9 44.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.683 179.843 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -46.6 122.35 4.12 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.265 -179.883 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.9 m . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.868 -179.877 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.757 0.313 . . . . 0.0 111.192 . . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.5 t -109.0 72.03 0.8 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.84 -179.98 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -97.2 30.73 2.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.657 179.783 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 42.1 m170 -79.99 143.28 57.14 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.867 -179.892 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -53.66 -24.07 28.35 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.22 1.947 . . . . 0.0 111.617 179.349 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -84.84 -34.41 22.67 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.637 179.671 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -74.0 -48.91 26.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.867 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 135.68 67.07 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.4 -179.982 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.54 71.93 0.21 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.894 0.378 . . . . 0.0 110.98 -179.917 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 5.9 m -69.32 -31.28 49.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.138 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -102.45 132.61 48.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.877 179.952 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -57.62 98.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.98 -179.964 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 51.5 m . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 179.968 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 42.3 mtm180 . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.846 0.355 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 21.5 t -115.74 86.54 2.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.96 179.993 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -96.79 27.12 4.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.813 179.705 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 46.8 m170 -79.97 145.45 61.43 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.921 -179.95 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -53.63 -24.08 28.17 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.274 1.982 . . . . 0.0 111.67 179.323 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -74.61 -38.34 62.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.732 179.749 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.3 m -73.64 -30.28 62.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.824 179.98 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 116.32 59.68 0.33 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.369 180.0 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -88.95 70.54 8.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.872 0.367 . . . . 0.0 110.939 -179.964 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 10.7 p -64.55 -30.86 51.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.022 179.887 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -94.27 134.46 36.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.826 179.903 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -54.71 107.82 0.33 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.96 -179.93 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 7.6 m . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.932 -179.975 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.83 0.348 . . . . 0.0 111.168 . . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.424 ' HA ' ' CE1' ' A' ' 4' ' ' HIS . 0.6 OUTLIER -97.56 72.93 2.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.825 -179.991 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.2 t -97.52 28.23 3.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.949 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.424 ' CE1' ' HA ' ' A' ' 2' ' ' CYS . 1.3 m80 -91.04 148.4 37.89 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.981 -179.777 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -51.99 -45.93 35.59 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.589 2.192 . . . . 0.0 112.342 179.953 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -59.38 -31.15 68.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.86 179.903 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -81.72 -30.9 32.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 179.938 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 125.58 64.28 0.17 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.455 -179.913 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.57 87.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.83 0.348 . . . . 0.0 110.962 -179.877 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 15.8 t -134.17 29.86 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.988 179.943 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -150.05 134.16 17.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.806 -179.977 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -71.3 90.15 0.92 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.568 179.924 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 11.0 m . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 -179.974 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.809 0.338 . . . . 0.0 111.172 . . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.423 ' HA ' ' CE1' ' A' ' 4' ' ' HIS . 0.6 OUTLIER -89.01 72.75 8.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 179.993 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 10.1 t -97.62 27.79 4.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.914 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.423 ' CE1' ' HA ' ' A' ' 2' ' ' CYS . 1.4 m80 -90.31 148.16 38.43 Favored Pre-proline 0 N--CA 1.453 -0.323 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.909 -179.802 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -52.18 -44.31 47.0 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.553 2.168 . . . . 0.0 112.268 179.959 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -60.42 -31.48 70.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 179.942 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -80.77 -31.0 36.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 179.945 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 105.67 64.31 0.64 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.409 -179.973 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 1.2 ptt? -78.44 85.2 4.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.84 0.353 . . . . 0.0 110.993 179.978 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -105.99 28.58 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.105 179.952 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -149.97 133.74 16.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.872 -180.0 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -57.96 89.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.976 179.958 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.2 m . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.972 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 23.0 ttm105 . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.822 0.344 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 9.8 t -80.38 90.92 5.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.912 -179.954 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.9 t -95.29 20.08 9.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.085 179.864 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 44.4 m170 -83.99 142.24 41.47 Favored Pre-proline 0 N--CA 1.453 -0.283 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.924 -179.949 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_exo -54.9 -23.2 33.3 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.297 1.998 . . . . 0.0 111.924 179.527 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 -67.95 -30.42 69.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.931 179.899 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.5 p -106.96 28.47 7.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.996 179.973 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 56.19 74.12 0.36 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.611 179.926 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -67.0 76.08 0.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.817 0.342 . . . . 0.0 110.881 179.948 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.4 t -81.59 -29.49 10.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.186 -179.977 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -89.97 115.79 27.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.904 -179.967 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -59.94 121.65 12.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.989 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.9 p . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.977 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 3.0 tmt_? . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.832 0.349 . . . . 0.0 111.17 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.8 t -127.73 83.41 2.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.947 179.987 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.6 t -97.22 29.02 3.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.752 179.77 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 45.8 m170 -79.95 141.17 54.54 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.921 -179.918 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -54.14 -23.65 30.13 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.276 1.984 . . . . 0.0 111.808 179.484 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -81.8 -37.48 27.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.763 179.854 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.2 -30.86 71.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.821 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 113.69 43.72 0.8 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.427 -179.985 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.14 83.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.838 0.351 . . . . 0.0 110.919 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.5 t -85.84 -31.23 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.075 179.957 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -105.94 131.85 52.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.862 179.979 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.76 96.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.943 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 7.4 p . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 179.985 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.799 0.333 . . . . 0.0 111.195 . . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 48.3 t -80.65 120.25 24.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.916 179.941 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -112.98 20.71 16.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.073 179.829 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 28.0 m170 -85.92 143.63 37.97 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.013 -179.908 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_exo -55.01 -22.49 31.07 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.257 1.972 . . . . 0.0 111.78 179.416 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -65.64 -47.3 76.03 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.02 179.926 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 8.0 p -83.22 -30.21 27.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.985 -179.898 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 125.63 80.98 0.41 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.555 179.907 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -78.24 62.27 2.9 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.933 0.397 . . . . 0.0 110.874 179.918 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.2 p -97.7 -29.03 3.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.171 -179.929 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -89.89 123.69 34.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.938 -179.986 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.78 85.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 179.994 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.9 p . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 -179.996 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 7.5 ttm180 . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 120.851 0.357 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.427 ' HA ' ' CE1' ' A' ' 4' ' ' HIS . 0.5 OUTLIER -89.46 73.02 7.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.832 179.96 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.8 t -97.62 27.91 4.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.959 -179.965 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.427 ' CE1' ' HA ' ' A' ' 2' ' ' CYS . 1.3 m80 -90.54 148.69 39.29 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.942 -179.808 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -51.59 -47.4 26.42 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.592 2.195 . . . . 0.0 112.353 179.964 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -58.93 -30.96 68.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.852 179.96 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -82.39 -31.07 29.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 125.83 66.02 0.17 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.345 -179.939 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 1.6 ppp? -61.08 85.5 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.845 0.355 . . . . 0.0 111.037 -179.935 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.5 t -110.32 -31.58 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.999 179.926 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -101.92 133.18 47.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.735 179.942 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.09 110.72 0.51 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.011 -179.955 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.8 m . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 179.998 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.762 0.315 . . . . 0.0 111.188 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 29.1 t -96.85 89.59 4.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 23.3 p -97.33 27.98 3.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.755 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 50.7 m170 -84.46 143.83 42.18 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -53.65 -23.8 27.31 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.216 1.944 . . . . 0.0 111.777 179.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -72.49 -36.59 68.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.795 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.6 m -75.63 -30.48 59.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.947 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 114.11 38.09 1.17 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.427 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.57 91.42 0.28 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.828 0.347 . . . . 0.0 110.924 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 15.3 m -57.72 -29.3 34.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.205 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -110.06 131.11 55.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -57.93 122.72 13.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.959 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -58.99 155.51 13.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.904 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.4 ptt180 -69.73 -37.85 76.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 50.7 tttt . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.182 -0.913 . . . . 0.0 110.919 -179.992 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 53.5 mtm-85 . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.839 0.352 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.435 ' HA ' ' CE1' ' A' ' 4' ' ' HIS . 0.5 OUTLIER -91.01 70.47 6.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.805 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 12.1 t -97.7 27.98 4.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.929 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.435 ' CE1' ' HA ' ' A' ' 2' ' ' CYS . 1.4 m80 -90.25 149.23 40.88 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.91 -179.787 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_exo -50.99 -46.78 28.88 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.543 2.162 . . . . 0.0 112.325 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.07 -30.91 68.42 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.695 179.761 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -84.91 -31.52 23.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.773 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 128.94 65.03 0.11 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.43 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.95 87.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.889 0.376 . . . . 0.0 110.865 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.7 p -112.13 -31.65 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.164 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -98.71 132.43 44.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -60.0 119.56 8.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.9 m -130.33 126.62 37.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 12.2 mtt-85 -65.2 143.94 57.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.889 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.209 -0.901 . . . . 0.0 110.881 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.486 1.375 0 CA-C-O 120.878 0.371 . . . . 0.0 111.106 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.432 ' HA ' ' CE1' ' A' ' 4' ' ' HIS . 0.6 OUTLIER -85.02 71.91 10.88 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.827 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -98.1 28.02 4.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.936 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.432 ' CE1' ' HA ' ' A' ' 2' ' ' CYS . 1.6 m80 -90.2 149.11 40.75 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.052 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -51.18 -45.95 33.98 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.576 2.184 . . . . 0.0 112.35 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -59.7 -31.42 69.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.75 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -82.81 -41.31 19.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 129.27 73.13 0.14 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.476 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.77 74.81 1.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.839 0.352 . . . . 0.0 110.866 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 26.0 t -99.34 -31.58 3.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.032 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -97.52 133.79 41.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.843 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.38 92.1 0.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.59 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.2 m -78.25 162.93 26.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.926 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 16.3 mtm180 60.94 79.96 0.23 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.5 tptt . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.891 -179.999 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 9.3 ttp180 . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.852 0.358 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.5 t -106.69 83.12 1.81 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.953 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -97.15 29.31 3.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.709 179.777 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 45.4 m170 -79.96 140.58 54.09 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.887 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -53.96 -23.76 29.27 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.228 1.952 . . . . 0.0 111.763 179.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -82.47 -35.55 27.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.743 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -67.23 -50.68 59.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.836 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 135.07 44.08 0.11 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.469 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -71.97 87.96 1.05 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.824 0.345 . . . . 0.0 110.908 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 4.5 m -62.9 -30.9 50.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.196 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -103.83 131.98 50.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.867 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -60.13 121.33 11.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.6 m -94.52 178.67 5.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.43 79.87 0.23 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.1 mttm . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.253 -0.88 . . . . 0.0 110.859 179.983 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 35.4 mtm180 . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.829 0.347 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 22.7 t -88.94 89.72 8.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.962 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -97.26 28.29 3.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.749 179.744 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 46.8 m170 -80.01 143.82 58.06 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -54.06 -23.6 29.38 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.321 2.014 . . . . 0.0 111.752 179.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -77.65 -38.02 48.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.77 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.2 m -69.77 -30.58 68.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.901 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 111.08 51.69 0.59 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.445 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.29 83.74 6.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.823 0.344 . . . . 0.0 110.925 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.5 t -69.9 -29.8 41.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.097 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -89.91 135.12 33.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.892 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -54.99 106.66 0.24 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.017 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.1 m -67.1 140.46 57.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.11 -35.47 77.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 49.7 mttt . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.216 -0.897 . . . . 0.0 110.883 179.957 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.821 0.343 . . . . 0.0 111.202 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.4 t -116.51 48.32 1.29 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 9.1 t -90.99 60.13 4.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.14 179.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.42 ' HB3' ' HD2' ' A' ' 5' ' ' PRO . 0.2 OUTLIER -146.15 172.06 5.72 Favored Pre-proline 0 N--CA 1.452 -0.371 0 CA-C-O 121.376 0.607 . . . . 0.0 112.063 -178.792 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.42 ' HD2' ' HB3' ' A' ' 4' ' ' HIS . 68.2 Cg_exo -48.23 -34.96 25.71 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 123.326 2.684 . . . . 0.0 112.491 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -57.61 -31.19 65.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.042 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.3 m -108.39 -30.11 8.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 125.57 72.04 0.2 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.444 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -68.9 71.06 0.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.878 0.37 . . . . 0.0 110.922 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.6 t -126.64 -43.47 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.135 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -90.01 133.55 34.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.849 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -56.11 101.83 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.03 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 12.2 m -64.76 -170.98 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.973 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 28.1 mtm-85 61.1 75.9 0.39 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.9 mmtm . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.207 -0.901 . . . . 0.0 110.924 -179.981 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.793 0.33 . . . . 0.0 111.181 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.8 t -112.84 79.96 1.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.934 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.1 t -97.19 28.58 3.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.768 179.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 45.7 m170 -79.95 139.67 53.66 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.924 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -54.22 -23.52 30.08 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.263 1.976 . . . . 0.0 111.847 179.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -84.07 -36.06 23.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.801 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.41 -31.0 71.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 106.75 49.99 0.87 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.469 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -75.61 63.98 1.62 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.911 0.386 . . . . 0.0 110.896 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 4.4 m -63.6 -30.05 48.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.187 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -101.97 132.87 47.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -58.61 97.35 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.956 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 24.6 p -60.18 145.0 48.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.937 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.8 mmm180 -103.06 112.09 24.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.6 ttmt . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.248 -0.882 . . . . 0.0 110.857 -179.969 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 24.6 mtp180 . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.779 0.323 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.432 ' HA ' ' CE1' ' A' ' 4' ' ' HIS . 0.6 OUTLIER -87.78 72.77 9.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.828 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.7 t -97.85 27.85 4.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.992 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.432 ' CE1' ' HA ' ' A' ' 2' ' ' CYS . 1.4 m80 -90.22 148.24 38.76 Favored Pre-proline 0 N--CA 1.453 -0.31 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.979 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -51.89 -44.53 44.46 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.532 2.154 . . . . 0.0 112.278 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -60.28 -31.43 70.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.784 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -81.46 -45.32 16.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 135.88 61.2 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.468 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.71 80.5 1.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.856 0.36 . . . . 0.0 110.879 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.0 p -110.76 -31.59 2.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.124 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -96.07 133.79 39.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.32 105.67 0.31 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.1 m -85.69 164.52 17.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 26.9 mmt85 -148.72 164.55 34.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.0 mmmt . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.897 179.972 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.823 0.344 . . . . 0.0 111.182 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 23.5 t -79.95 97.69 6.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.97 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 29.9 t -97.14 26.71 4.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.759 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 49.4 m170 -81.11 137.36 49.51 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.943 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_exo -54.73 -23.19 32.09 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.283 1.989 . . . . 0.0 111.959 179.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -79.06 -38.98 35.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.889 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.1 m -60.25 -29.7 68.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.9 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 102.14 38.31 3.13 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.491 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.97 89.89 0.8 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.796 0.332 . . . . 0.0 110.958 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.8 t -76.15 -30.4 20.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.087 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -89.98 134.99 33.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.819 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -55.82 106.52 0.26 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.025 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.6 p -118.75 47.0 1.73 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 28.1 mtm-85 -76.73 -178.24 4.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.886 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 53.8 tttt . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.262 -0.875 . . . . 0.0 110.868 179.987 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.4 tpt180 . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.824 0.345 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.422 ' HA ' ' CE1' ' A' ' 4' ' ' HIS . 0.6 OUTLIER -85.37 73.11 10.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.857 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 22.4 t -98.08 28.03 4.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.979 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.422 ' CE1' ' HA ' ' A' ' 2' ' ' CYS . 1.3 m80 -90.41 148.92 40.01 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.973 -179.784 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -51.36 -47.22 27.07 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.569 2.179 . . . . 0.0 112.268 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.86 -30.59 67.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.794 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -83.59 -38.21 21.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.845 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 128.79 57.35 0.11 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.426 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -66.28 78.12 0.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.888 0.375 . . . . 0.0 110.871 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 10.5 p -102.8 -30.86 2.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.011 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -93.76 134.11 36.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -59.34 119.89 8.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.954 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 32.0 p -125.04 133.53 52.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 6.7 mtt85 -85.23 -31.54 23.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.83 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.193 -0.908 . . . . 0.0 110.923 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.839 0.352 . . . . 0.0 111.157 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.431 ' HA ' ' CE1' ' A' ' 4' ' ' HIS . 0.6 OUTLIER -91.98 72.83 5.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.845 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.7 t -97.66 27.77 4.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.948 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.431 ' CE1' ' HA ' ' A' ' 2' ' ' CYS . 1.3 m80 -90.31 148.13 38.37 Favored Pre-proline 0 N--CA 1.453 -0.309 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.937 -179.815 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -52.09 -44.41 45.98 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.637 2.225 . . . . 0.0 112.273 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 20.7 tm0? -60.4 -31.47 70.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.806 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -80.92 -35.04 32.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.838 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 124.27 54.06 0.19 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.481 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.07 88.46 0.79 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.829 0.347 . . . . 0.0 110.904 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 12.2 p -110.54 -31.17 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.076 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -101.09 132.95 46.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.92 114.94 2.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.004 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 10.9 m -93.55 47.9 1.27 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 36.9 mmt180 -113.18 -36.72 4.96 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.898 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.1 pttp . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.954 179.949 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 4.9 ptt-85 . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.936 0.398 . . . . 0.0 111.124 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 25.2 t -80.01 89.75 5.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.913 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 13.9 t -97.06 27.43 4.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.807 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 46.9 m170 -79.98 143.8 58.12 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -53.82 -23.98 29.19 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.248 1.965 . . . . 0.0 111.757 179.437 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -76.27 -37.54 57.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.733 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.3 m -71.56 -31.16 66.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.859 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 118.21 43.7 0.55 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.419 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.09 77.65 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.864 0.364 . . . . 0.0 110.982 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 10.8 p -92.57 -31.11 4.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.009 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -99.02 133.5 43.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.808 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -56.42 95.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.968 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 23.9 p -70.13 68.29 0.32 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.934 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 28.1 ptt180 44.47 37.24 1.98 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.415 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.3 mtmt . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.186 -0.911 . . . . 0.0 110.837 179.976 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.846 0.355 . . . . 0.0 111.149 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.433 ' HA ' ' CE1' ' A' ' 4' ' ' HIS . 0.5 OUTLIER -88.97 72.6 8.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.826 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.6 t -97.9 27.61 4.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.011 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.433 ' CE1' ' HA ' ' A' ' 2' ' ' CYS . 1.4 m80 -89.52 149.04 41.67 Favored Pre-proline 0 N--CA 1.453 -0.318 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.949 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_exo -50.94 -48.11 22.47 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.542 2.161 . . . . 0.0 112.358 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -59.12 -30.17 67.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -84.17 -48.18 10.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 137.22 67.08 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.367 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.22 92.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.858 0.361 . . . . 0.0 111.023 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.4 t -97.13 -31.17 3.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.059 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -101.85 132.83 47.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -58.71 91.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.977 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 49.3 m -98.89 124.17 43.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.853 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.6 ptt180 -156.59 -50.87 0.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.94 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.1 tttt . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.173 -0.918 . . . . 0.0 110.92 180.0 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 13.8 ttm180 . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.812 0.339 . . . . 0.0 111.182 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 2.0 t -87.46 80.1 8.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.962 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.7 t -97.2 29.06 3.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.74 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 45.6 m170 -79.97 139.91 53.68 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.898 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -54.21 -23.56 30.24 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.271 1.981 . . . . 0.0 111.782 179.498 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.9 mp0 -84.15 -35.8 23.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.826 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.95 -48.84 69.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.906 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 132.88 49.5 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.443 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 1.3 ptp -60.26 86.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.847 0.356 . . . . 0.0 110.878 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.5 t -90.49 -31.28 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.058 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -106.56 131.65 53.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -59.2 89.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.959 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 7.5 p -60.21 153.82 21.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.921 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.4 mmm-85 -62.29 -74.5 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.7 mptt . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.274 -0.87 . . . . 0.0 110.918 -179.995 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 5.0 ptt85 . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.793 0.33 . . . . 0.0 111.181 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.421 ' HA ' ' CE1' ' A' ' 4' ' ' HIS . 0.7 OUTLIER -79.94 72.72 6.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.841 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 24.8 t -97.63 27.79 4.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.421 ' CE1' ' HA ' ' A' ' 2' ' ' CYS . 1.4 m80 -90.32 147.56 37.07 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.974 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -52.64 -41.42 69.02 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.526 2.151 . . . . 0.0 112.255 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -62.13 -31.82 72.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -79.62 -62.57 1.65 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 146.22 61.78 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.495 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 2.6 ptp -67.72 91.22 0.3 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.788 0.328 . . . . 0.0 110.901 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.5 t -86.39 -32.47 6.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -109.01 130.28 55.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.925 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -60.33 86.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.2 p -62.95 100.65 0.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 28.5 mmm180 -84.21 169.95 14.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.8 mttm . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.917 179.963 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.782 0.325 . . . . 0.0 111.221 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.428 ' HA ' ' CE1' ' A' ' 4' ' ' HIS . 0.5 OUTLIER -86.53 75.04 9.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.842 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 30.8 t -96.75 34.29 1.71 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.845 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.428 ' CE1' ' HA ' ' A' ' 2' ' ' CYS . 1.2 m80 -98.36 148.21 34.2 Favored Pre-proline 0 N--CA 1.451 -0.406 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.943 -179.705 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -52.85 -50.04 15.44 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.566 2.177 . . . . 0.0 112.425 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -58.49 -29.67 66.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.052 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -81.78 -64.83 1.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 168.62 40.63 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.332 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.73 76.73 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.833 0.349 . . . . 0.0 110.903 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -104.98 -30.87 2.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.061 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -102.57 132.74 48.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -58.02 109.59 0.77 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.943 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 19.4 p -93.45 144.79 25.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 6.8 mmt180 -150.14 84.96 1.39 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.272 -0.871 . . . . 0.0 110.873 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 54.7 ttt180 . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.76 0.314 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 53.0 t -102.82 118.18 36.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.975 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.8 p -111.39 17.46 20.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.04 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 31.8 m170 -80.0 143.83 58.12 Favored Pre-proline 0 N--CA 1.454 -0.254 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.88 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_exo -54.78 -22.86 31.05 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.158 1.905 . . . . 0.0 111.844 179.423 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -66.3 -47.1 74.7 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.877 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 8.2 p -84.61 -43.78 14.11 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.951 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 149.45 79.69 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.516 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 9.4 ptm -58.89 87.82 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.946 0.403 . . . . 0.0 111.031 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 28.5 t -110.16 -32.84 2.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.137 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -106.26 117.12 33.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.26 79.3 0.05 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.991 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.6 p -67.56 132.14 46.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.1 mtt-85 -97.89 150.06 21.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.3 mtmp? . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.276 -0.868 . . . . 0.0 110.937 -179.999 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 27.3 ttm180 . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.809 0.338 . . . . 0.0 111.181 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.444 ' HA ' ' CE1' ' A' ' 4' ' ' HIS . 0.5 OUTLIER -88.73 61.4 5.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.803 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 9.7 t -94.92 39.31 1.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.863 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.444 ' CE1' ' HA ' ' A' ' 2' ' ' CYS . 1.4 m80 -103.57 149.63 37.26 Favored Pre-proline 0 N--CA 1.45 -0.455 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.955 -179.584 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_exo -50.65 -44.32 41.09 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.528 2.152 . . . . 0.0 112.271 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -64.19 -23.49 67.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -97.04 23.32 7.4 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.004 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 84.92 -57.34 5.01 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.356 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 3.7 tmm? 43.79 21.39 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.7 m -59.05 -29.91 42.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.8 0.333 . . . . 0.0 111.19 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -93.08 125.09 37.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -60.56 121.26 11.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.903 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 32.0 p -102.12 122.06 43.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 12.7 mmt85 -97.27 -74.33 0.58 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.6 ttmt . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.217 -0.897 . . . . 0.0 110.895 179.987 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 23.2 mtt180 . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.811 0.339 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.3 t -91.63 73.23 5.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.6 t -97.3 29.79 3.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.665 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 43.4 m170 -79.99 141.78 55.12 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.853 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -53.39 -24.27 27.09 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.233 1.956 . . . . 0.0 111.625 179.346 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -84.01 -34.24 24.36 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.641 179.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -73.53 -54.9 7.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.826 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 149.48 65.91 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.406 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.43 92.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.803 0.335 . . . . 0.0 110.956 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 28.7 t -108.07 -31.03 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.019 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -98.11 133.53 42.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.2 94.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.95 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.8 p -107.37 47.78 0.87 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -118.23 40.04 3.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.272 -0.871 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 4.8 tpt180 . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.785 0.326 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.432 ' HA ' ' CE1' ' A' ' 4' ' ' HIS . 0.5 OUTLIER -87.77 72.79 9.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 10.2 t -97.78 27.82 4.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.012 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.432 ' CE1' ' HA ' ' A' ' 2' ' ' CYS . 1.4 m80 -89.93 148.87 40.66 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.93 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -51.29 -47.31 26.54 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.587 2.192 . . . . 0.0 112.376 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -59.58 -30.19 68.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -83.55 -65.5 1.0 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 164.63 73.06 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.443 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.419 ' HG2' ' O ' ' A' ' 9' ' ' MET . 0.0 OUTLIER -85.84 33.06 0.59 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.788 0.328 . . . . 0.0 111.518 -179.821 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 28.9 t -75.54 -31.02 22.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.838 0.352 . . . . 0.0 111.084 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -97.83 130.5 44.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -60.14 99.71 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 32.1 p -83.3 156.26 23.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 42.8 ptt85 -63.16 169.18 3.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 28.0 tttp . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.187 -0.911 . . . . 0.0 110.893 179.97 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 8.6 ttp180 . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.836 0.35 . . . . 0.0 111.223 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.414 ' HA ' ' CE1' ' A' ' 4' ' ' HIS . 0.5 OUTLIER -89.27 72.92 8.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.796 -179.959 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.7 t -97.83 27.91 4.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.97 -179.919 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.414 ' CE1' ' HA ' ' A' ' 2' ' ' CYS . 1.3 m80 -90.28 148.61 39.53 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.93 -179.819 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -51.53 -46.66 30.32 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.595 2.196 . . . . 0.0 112.337 179.967 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -59.63 -30.44 68.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.841 179.931 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -83.18 -31.62 27.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 120.13 52.1 0.26 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.361 -179.951 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.27 92.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.795 0.331 . . . . 0.0 110.985 -179.914 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.5 t -79.51 -31.17 13.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.075 179.917 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -113.56 129.91 56.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 179.911 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -58.73 102.13 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.964 -179.98 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 40.2 m -88.05 -178.45 5.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -133.91 34.99 3.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.918 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.4 mttt . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.23 -0.891 . . . . 0.0 110.906 179.985 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.81 0.338 . . . . 0.0 111.164 . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 30.0 t -82.33 87.88 6.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -96.96 29.99 2.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.737 179.717 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 45.6 m170 -79.97 145.53 61.6 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.872 -179.942 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -53.39 -24.37 27.44 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.27 1.98 . . . . 0.0 111.659 179.372 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -78.07 -36.6 48.06 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.687 179.711 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.3 m -73.87 -31.2 63.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.845 179.976 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 107.99 61.42 0.55 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.255 -179.884 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.15 66.01 0.27 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.833 0.349 . . . . 0.0 111.01 -179.844 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 5.2 m -68.52 -31.52 51.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.973 179.858 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -100.91 133.9 44.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.683 179.843 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -46.6 122.35 4.12 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.265 -179.883 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.9 m -64.9 122.8 17.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.868 -179.877 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.2 mmm180 -97.13 -71.62 0.67 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 -179.976 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.6 ttpm? . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.22 -0.895 . . . . 0.0 110.885 -179.989 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.757 0.313 . . . . 0.0 111.192 . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.5 t -109.0 72.03 0.8 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.84 -179.98 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -97.2 30.73 2.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.657 179.783 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 42.1 m170 -79.99 143.28 57.14 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.867 -179.892 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -53.66 -24.07 28.35 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.22 1.947 . . . . 0.0 111.617 179.349 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -84.84 -34.41 22.67 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.637 179.671 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -74.0 -48.91 26.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.867 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 135.68 67.07 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.4 -179.982 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.54 71.93 0.21 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.894 0.378 . . . . 0.0 110.98 -179.917 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 5.9 m -69.32 -31.28 49.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.138 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -102.45 132.61 48.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.877 179.952 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -57.62 98.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.98 -179.964 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 51.5 m -90.78 115.38 27.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 179.968 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 6.5 mmt180 -91.95 -74.53 0.51 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 179.981 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.8 mtpp . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.91 -179.98 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 42.3 mtm180 . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.846 0.355 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 21.5 t -115.74 86.54 2.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.96 179.993 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -96.79 27.12 4.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.813 179.705 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 46.8 m170 -79.97 145.45 61.43 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.921 -179.95 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -53.63 -24.08 28.17 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.274 1.982 . . . . 0.0 111.67 179.323 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -74.61 -38.34 62.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.732 179.749 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.3 m -73.64 -30.28 62.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.824 179.98 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 116.32 59.68 0.33 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.369 180.0 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -88.95 70.54 8.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.872 0.367 . . . . 0.0 110.939 -179.964 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 10.7 p -64.55 -30.86 51.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.022 179.887 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -94.27 134.46 36.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.826 179.903 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -54.71 107.82 0.33 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.96 -179.93 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 7.6 m -68.71 124.41 23.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.932 -179.975 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.1 mmt85 -133.22 -63.57 0.76 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.97 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 54.4 mmtt . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.216 -0.897 . . . . 0.0 110.923 179.986 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.83 0.348 . . . . 0.0 111.168 . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.424 ' HA ' ' CE1' ' A' ' 4' ' ' HIS . 0.6 OUTLIER -97.56 72.93 2.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.825 -179.991 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.2 t -97.52 28.23 3.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.949 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.424 ' CE1' ' HA ' ' A' ' 2' ' ' CYS . 1.3 m80 -91.04 148.4 37.89 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.981 -179.777 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -51.99 -45.93 35.59 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.589 2.192 . . . . 0.0 112.342 179.953 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -59.38 -31.15 68.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.86 179.903 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -81.72 -30.9 32.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 179.938 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 125.58 64.28 0.17 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.455 -179.913 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.57 87.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.83 0.348 . . . . 0.0 110.962 -179.877 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 15.8 t -134.17 29.86 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.988 179.943 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -150.05 134.16 17.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.806 -179.977 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -71.3 90.15 0.92 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.568 179.924 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 11.0 m -89.07 -171.5 3.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 -179.974 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.3 ptt180 -60.53 -31.28 70.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 -180.0 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.4 tttm . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.879 179.992 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.809 0.338 . . . . 0.0 111.172 . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.423 ' HA ' ' CE1' ' A' ' 4' ' ' HIS . 0.6 OUTLIER -89.01 72.75 8.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 179.993 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 10.1 t -97.62 27.79 4.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.914 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.423 ' CE1' ' HA ' ' A' ' 2' ' ' CYS . 1.4 m80 -90.31 148.16 38.43 Favored Pre-proline 0 N--CA 1.453 -0.323 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.909 -179.802 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -52.18 -44.31 47.0 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.553 2.168 . . . . 0.0 112.268 179.959 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -60.42 -31.48 70.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 179.942 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -80.77 -31.0 36.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 179.945 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 105.67 64.31 0.64 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.409 -179.973 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 1.2 ptt? -78.44 85.2 4.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.84 0.353 . . . . 0.0 110.993 179.978 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -105.99 28.58 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.105 179.952 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -149.97 133.74 16.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.872 -180.0 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -57.96 89.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.976 179.958 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.2 m -68.1 123.16 19.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.972 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.5 mtm180 -136.06 -175.31 3.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.216 -0.897 . . . . 0.0 110.898 179.971 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 23.0 ttm105 . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.822 0.344 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 9.8 t -80.38 90.92 5.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.912 -179.954 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.9 t -95.29 20.08 9.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.085 179.864 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 44.4 m170 -83.99 142.24 41.47 Favored Pre-proline 0 N--CA 1.453 -0.283 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.924 -179.949 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_exo -54.9 -23.2 33.3 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.297 1.998 . . . . 0.0 111.924 179.527 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 -67.95 -30.42 69.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.931 179.899 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.5 p -106.96 28.47 7.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.996 179.973 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 56.19 74.12 0.36 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.611 179.926 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -67.0 76.08 0.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.817 0.342 . . . . 0.0 110.881 179.948 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.4 t -81.59 -29.49 10.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.186 -179.977 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -89.97 115.79 27.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.904 -179.967 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -59.94 121.65 12.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.989 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.9 p -111.82 116.01 29.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.977 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.9 mtt-85 -80.84 135.34 35.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 179.936 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.243 -0.884 . . . . 0.0 110.897 -179.997 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 3.0 tmt_? . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.832 0.349 . . . . 0.0 111.17 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.8 t -127.73 83.41 2.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.947 179.987 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.6 t -97.22 29.02 3.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.752 179.77 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 45.8 m170 -79.95 141.17 54.54 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.921 -179.918 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -54.14 -23.65 30.13 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.276 1.984 . . . . 0.0 111.808 179.484 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -81.8 -37.48 27.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.763 179.854 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.2 -30.86 71.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.821 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 113.69 43.72 0.8 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.427 -179.985 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.14 83.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.838 0.351 . . . . 0.0 110.919 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.5 t -85.84 -31.23 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.075 179.957 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -105.94 131.85 52.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.862 179.979 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.76 96.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.943 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 7.4 p -60.08 152.02 25.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 179.985 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.6 mtt-85 -60.21 -62.34 1.94 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.912 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.7 mmtt . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.238 -0.887 . . . . 0.0 110.942 179.973 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.799 0.333 . . . . 0.0 111.195 . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 48.3 t -80.65 120.25 24.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.916 179.941 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -112.98 20.71 16.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.073 179.829 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 28.0 m170 -85.92 143.63 37.97 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.013 -179.908 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_exo -55.01 -22.49 31.07 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.257 1.972 . . . . 0.0 111.78 179.416 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -65.64 -47.3 76.03 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.02 179.926 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 8.0 p -83.22 -30.21 27.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.985 -179.898 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 125.63 80.98 0.41 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.555 179.907 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -78.24 62.27 2.9 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.933 0.397 . . . . 0.0 110.874 179.918 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.2 p -97.7 -29.03 3.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.171 -179.929 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -89.89 123.69 34.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.938 -179.986 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.78 85.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 179.994 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.9 p -65.35 114.04 4.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 -179.996 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -119.91 115.66 24.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 179.996 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.9 mtpp . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.21 -0.9 . . . . 0.0 110.897 179.961 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 7.5 ttm180 . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 120.851 0.357 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.427 ' HA ' ' CE1' ' A' ' 4' ' ' HIS . 0.5 OUTLIER -89.46 73.02 7.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.832 179.96 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.8 t -97.62 27.91 4.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.959 -179.965 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.427 ' CE1' ' HA ' ' A' ' 2' ' ' CYS . 1.3 m80 -90.54 148.69 39.29 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.942 -179.808 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -51.59 -47.4 26.42 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.592 2.195 . . . . 0.0 112.353 179.964 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -58.93 -30.96 68.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.852 179.96 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -82.39 -31.07 29.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 125.83 66.02 0.17 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.345 -179.939 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 1.6 ppp? -61.08 85.5 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.845 0.355 . . . . 0.0 111.037 -179.935 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.5 t -110.32 -31.58 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.999 179.926 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -101.92 133.18 47.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.735 179.942 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.09 110.72 0.51 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.011 -179.955 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.8 m -64.88 96.79 0.2 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 179.998 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.9 mmm180 -62.12 84.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.4 mtpp . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.897 -179.991 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.762 0.315 . . . . 0.0 111.188 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 29.1 t -96.85 89.59 4.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 23.3 p -97.33 27.98 3.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.755 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 50.7 m170 -84.46 143.83 42.18 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -53.65 -23.8 27.31 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.216 1.944 . . . . 0.0 111.777 179.384 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -72.49 -36.59 68.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.795 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.6 m -75.63 -30.48 59.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.947 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 114.11 38.09 1.17 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.427 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.57 91.42 0.28 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.828 0.347 . . . . 0.0 110.924 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 15.3 m -57.72 -29.3 34.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.205 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -110.06 131.11 55.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -57.93 122.72 13.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.959 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.904 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 53.5 mtm-85 . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.839 0.352 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.447 ' HA ' ' CE1' ' A' ' 4' ' ' HIS . 0.5 OUTLIER -91.01 70.47 6.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.805 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 12.1 t -97.7 27.98 4.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.929 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.447 ' CE1' ' HA ' ' A' ' 2' ' ' CYS . 1.4 m80 -90.25 149.23 40.88 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.91 -179.787 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_exo -50.99 -46.78 28.88 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.543 2.162 . . . . 0.0 112.325 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.07 -30.91 68.42 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.695 179.761 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -84.91 -31.52 23.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.773 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 128.94 65.03 0.11 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.43 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.95 87.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.889 0.376 . . . . 0.0 110.865 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.7 p -112.13 -31.65 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.164 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -98.71 132.43 44.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -60.0 119.56 8.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.9 m . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 179.999 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.486 1.375 0 CA-C-O 120.878 0.371 . . . . 0.0 111.106 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.445 ' HA ' ' CE1' ' A' ' 4' ' ' HIS . 0.6 OUTLIER -85.02 71.91 10.88 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.827 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -98.1 28.02 4.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.936 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.445 ' CE1' ' HA ' ' A' ' 2' ' ' CYS . 1.6 m80 -90.2 149.11 40.75 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.052 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -51.18 -45.95 33.98 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.576 2.184 . . . . 0.0 112.35 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -59.7 -31.42 69.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.75 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -82.81 -41.31 19.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 129.27 73.13 0.14 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.476 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.77 74.81 1.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.839 0.352 . . . . 0.0 110.866 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 26.0 t -99.34 -31.58 3.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.032 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -97.52 133.79 41.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.843 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.38 92.1 0.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.59 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.2 m . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.926 -179.918 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 9.3 ttp180 . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.852 0.358 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.5 t -106.69 83.12 1.81 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.953 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -97.15 29.31 3.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.709 179.777 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 45.4 m170 -79.96 140.58 54.09 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.887 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -53.96 -23.76 29.27 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.228 1.952 . . . . 0.0 111.763 179.403 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -82.47 -35.55 27.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.743 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -67.23 -50.68 59.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.836 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 135.07 44.08 0.11 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.469 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -71.97 87.96 1.05 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.824 0.345 . . . . 0.0 110.908 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.402 ' H ' HG22 ' A' ' 10' ' ' VAL . 4.5 m -62.9 -30.9 50.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.196 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -103.83 131.98 50.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.867 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -60.13 121.33 11.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 179.967 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 35.4 mtm180 . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.829 0.347 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 22.7 t -88.94 89.72 8.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.962 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -97.26 28.29 3.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.749 179.744 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 46.8 m170 -80.01 143.82 58.06 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -54.06 -23.6 29.38 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.321 2.014 . . . . 0.0 111.752 179.493 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -77.65 -38.02 48.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.77 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.2 m -69.77 -30.58 68.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.901 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 111.08 51.69 0.59 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.445 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.29 83.74 6.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.823 0.344 . . . . 0.0 110.925 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.5 t -69.9 -29.8 41.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.097 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -89.91 135.12 33.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.892 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -54.99 106.66 0.24 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.017 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.1 m . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 -179.97 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.821 0.343 . . . . 0.0 111.202 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.4 t -116.51 48.32 1.29 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 9.1 t -90.99 60.13 4.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.14 179.551 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.409 ' CB ' ' CD ' ' A' ' 5' ' ' PRO . 0.2 OUTLIER -146.15 172.06 5.72 Favored Pre-proline 0 N--CA 1.452 -0.371 0 CA-C-O 121.376 0.607 . . . . 0.0 112.063 -178.792 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.409 ' CD ' ' CB ' ' A' ' 4' ' ' HIS . 68.2 Cg_exo -48.23 -34.96 25.71 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 123.326 2.684 . . . . 0.0 112.491 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -57.61 -31.19 65.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.042 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.3 m -108.39 -30.11 8.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 125.57 72.04 0.2 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.444 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -68.9 71.06 0.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.878 0.37 . . . . 0.0 110.922 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.6 t -126.64 -43.47 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.135 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -90.01 133.55 34.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.849 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -56.11 101.83 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.03 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 12.2 m . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.973 179.992 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.793 0.33 . . . . 0.0 111.181 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.8 t -112.84 79.96 1.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.934 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.1 t -97.19 28.58 3.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.768 179.749 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 45.7 m170 -79.95 139.67 53.66 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.924 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -54.22 -23.52 30.08 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.263 1.976 . . . . 0.0 111.847 179.47 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -84.07 -36.06 23.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.801 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.41 -31.0 71.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 106.75 49.99 0.87 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.469 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -75.61 63.98 1.62 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.911 0.386 . . . . 0.0 110.896 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.679 HG23 ' OE1' ' A' ' 11' ' ' GLU . 4.4 m -63.6 -30.05 48.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.187 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.679 ' OE1' HG23 ' A' ' 10' ' ' VAL . 3.1 mp0 -101.97 132.87 47.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -58.61 97.35 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.956 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 24.6 p . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.937 179.98 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 24.6 mtp180 . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.779 0.323 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.444 ' HA ' ' CE1' ' A' ' 4' ' ' HIS . 0.6 OUTLIER -87.78 72.77 9.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.828 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.7 t -97.85 27.85 4.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.992 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.444 ' CE1' ' HA ' ' A' ' 2' ' ' CYS . 1.4 m80 -90.22 148.24 38.76 Favored Pre-proline 0 N--CA 1.453 -0.31 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.979 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -51.89 -44.53 44.46 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.532 2.154 . . . . 0.0 112.278 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -60.28 -31.43 70.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.784 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -81.46 -45.32 16.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 135.88 61.2 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.468 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.71 80.5 1.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.856 0.36 . . . . 0.0 110.879 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.0 p -110.76 -31.59 2.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.124 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -96.07 133.79 39.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.32 105.67 0.31 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.1 m . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 -179.945 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.823 0.344 . . . . 0.0 111.182 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 23.5 t -79.95 97.69 6.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.97 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 29.9 t -97.14 26.71 4.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.759 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 49.4 m170 -81.11 137.36 49.51 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.943 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_exo -54.73 -23.19 32.09 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.283 1.989 . . . . 0.0 111.959 179.556 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -79.06 -38.98 35.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.889 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.1 m -60.25 -29.7 68.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.9 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 102.14 38.31 3.13 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.491 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.97 89.89 0.8 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.796 0.332 . . . . 0.0 110.958 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.8 t -76.15 -30.4 20.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.087 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -89.98 134.99 33.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.819 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -55.82 106.52 0.26 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.025 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.6 p . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 -179.992 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.4 tpt180 . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.824 0.345 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.436 ' HA ' ' CE1' ' A' ' 4' ' ' HIS . 0.6 OUTLIER -85.37 73.11 10.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.857 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 22.4 t -98.08 28.03 4.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.979 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.436 ' CE1' ' HA ' ' A' ' 2' ' ' CYS . 1.3 m80 -90.41 148.92 40.01 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.973 -179.784 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -51.36 -47.22 27.07 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.569 2.179 . . . . 0.0 112.268 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.86 -30.59 67.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.794 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -83.59 -38.21 21.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.845 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 128.79 57.35 0.11 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.426 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -66.28 78.12 0.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.888 0.375 . . . . 0.0 110.871 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 10.5 p -102.8 -30.86 2.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.011 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -93.76 134.11 36.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -59.34 119.89 8.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.954 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 32.0 p . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.882 -179.954 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.839 0.352 . . . . 0.0 111.157 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.444 ' HA ' ' CE1' ' A' ' 4' ' ' HIS . 0.6 OUTLIER -91.98 72.83 5.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.845 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.7 t -97.66 27.77 4.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.948 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.444 ' CE1' ' HA ' ' A' ' 2' ' ' CYS . 1.3 m80 -90.31 148.13 38.37 Favored Pre-proline 0 N--CA 1.453 -0.309 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.937 -179.815 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -52.09 -44.41 45.98 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.637 2.225 . . . . 0.0 112.273 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 20.7 tm0? -60.4 -31.47 70.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.806 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -80.92 -35.04 32.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.838 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 124.27 54.06 0.19 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.481 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.07 88.46 0.79 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.829 0.347 . . . . 0.0 110.904 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 12.2 p -110.54 -31.17 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.076 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -101.09 132.95 46.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.92 114.94 2.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.004 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 10.9 m . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.949 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 4.9 ptt-85 . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.936 0.398 . . . . 0.0 111.124 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 25.2 t -80.01 89.75 5.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.913 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 13.9 t -97.06 27.43 4.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.807 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 46.9 m170 -79.98 143.8 58.12 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -53.82 -23.98 29.19 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.248 1.965 . . . . 0.0 111.757 179.437 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -76.27 -37.54 57.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.733 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.3 m -71.56 -31.16 66.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.859 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 118.21 43.7 0.55 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.419 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.09 77.65 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.864 0.364 . . . . 0.0 110.982 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 10.8 p -92.57 -31.11 4.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.009 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -99.02 133.5 43.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.808 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -56.42 95.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.968 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 23.9 p . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.934 -179.994 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.846 0.355 . . . . 0.0 111.149 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.446 ' HA ' ' CE1' ' A' ' 4' ' ' HIS . 0.5 OUTLIER -88.97 72.6 8.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.826 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.6 t -97.9 27.61 4.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.011 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.446 ' CE1' ' HA ' ' A' ' 2' ' ' CYS . 1.4 m80 -89.52 149.04 41.67 Favored Pre-proline 0 N--CA 1.453 -0.318 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.949 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_exo -50.94 -48.11 22.47 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.542 2.161 . . . . 0.0 112.358 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -59.12 -30.17 67.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -84.17 -48.18 10.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.682 ' O ' HG23 ' A' ' 10' ' ' VAL . . . 137.22 67.08 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.367 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.22 92.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.858 0.361 . . . . 0.0 111.023 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.682 HG23 ' O ' ' A' ' 8' ' ' GLY . 21.4 t -97.13 -31.17 3.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.059 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -101.85 132.83 47.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -58.71 91.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.977 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 49.3 m . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.853 -179.994 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 13.8 ttm180 . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.812 0.339 . . . . 0.0 111.182 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 2.0 t -87.46 80.1 8.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.962 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.7 t -97.2 29.06 3.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.74 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 45.6 m170 -79.97 139.91 53.68 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.898 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -54.21 -23.56 30.24 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.271 1.981 . . . . 0.0 111.782 179.498 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.9 mp0 -84.15 -35.8 23.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.826 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.95 -48.84 69.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.906 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.662 ' O ' HG23 ' A' ' 10' ' ' VAL . . . 132.88 49.5 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.443 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 1.3 ptp -60.26 86.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.847 0.356 . . . . 0.0 110.878 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 8' ' ' GLY . 21.5 t -90.49 -31.28 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.058 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -106.56 131.65 53.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -59.2 89.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.959 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 7.5 p . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.921 179.977 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 5.0 ptt85 . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.793 0.33 . . . . 0.0 111.181 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.433 ' HA ' ' CE1' ' A' ' 4' ' ' HIS . 0.7 OUTLIER -79.94 72.72 6.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.841 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 24.8 t -97.63 27.79 4.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.433 ' CE1' ' HA ' ' A' ' 2' ' ' CYS . 1.4 m80 -90.32 147.56 37.07 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.974 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -52.64 -41.42 69.02 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.526 2.151 . . . . 0.0 112.255 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -62.13 -31.82 72.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -79.62 -62.57 1.65 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 146.22 61.78 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.495 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 2.6 ptp -67.72 91.22 0.3 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.788 0.328 . . . . 0.0 110.901 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.5 t -86.39 -32.47 6.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -109.01 130.28 55.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.925 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -60.33 86.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.2 p . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 179.951 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.782 0.325 . . . . 0.0 111.221 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.44 ' HA ' ' CE1' ' A' ' 4' ' ' HIS . 0.5 OUTLIER -86.53 75.04 9.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.842 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 30.8 t -96.75 34.29 1.71 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.845 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.44 ' CE1' ' HA ' ' A' ' 2' ' ' CYS . 1.2 m80 -98.36 148.21 34.2 Favored Pre-proline 0 N--CA 1.451 -0.406 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.943 -179.705 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -52.85 -50.04 15.44 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.566 2.177 . . . . 0.0 112.425 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -58.49 -29.67 66.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.052 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -81.78 -64.83 1.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.588 ' O ' HG22 ' A' ' 10' ' ' VAL . . . 168.62 40.63 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.332 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.73 76.73 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.833 0.349 . . . . 0.0 110.903 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.588 HG22 ' O ' ' A' ' 8' ' ' GLY . 0.4 OUTLIER -104.98 -30.87 2.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.061 179.865 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -102.57 132.74 48.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -58.02 109.59 0.77 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.943 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 19.4 p . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.991 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 54.7 ttt180 . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.76 0.314 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 53.0 t -102.82 118.18 36.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.975 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.8 p -111.39 17.46 20.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.04 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 31.8 m170 -80.0 143.83 58.12 Favored Pre-proline 0 N--CA 1.454 -0.254 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.88 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_exo -54.78 -22.86 31.05 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.158 1.905 . . . . 0.0 111.844 179.423 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -66.3 -47.1 74.7 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.877 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 8.2 p -84.61 -43.78 14.11 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.951 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.639 ' O ' HG23 ' A' ' 10' ' ' VAL . . . 149.45 79.69 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.516 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 9.4 ptm -58.89 87.82 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.946 0.403 . . . . 0.0 111.031 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.639 HG23 ' O ' ' A' ' 8' ' ' GLY . 28.5 t -110.16 -32.84 2.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.137 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -106.26 117.12 33.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.26 79.3 0.05 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.991 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.6 p . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 -179.988 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 27.3 ttm180 . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.809 0.338 . . . . 0.0 111.181 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.456 ' HA ' ' CE1' ' A' ' 4' ' ' HIS . 0.5 OUTLIER -88.73 61.4 5.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.803 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 9.7 t -94.92 39.31 1.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.863 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.456 ' CE1' ' HA ' ' A' ' 2' ' ' CYS . 1.4 m80 -103.57 149.63 37.26 Favored Pre-proline 0 N--CA 1.45 -0.455 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.955 -179.584 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_exo -50.65 -44.32 41.09 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.528 2.152 . . . . 0.0 112.271 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -64.19 -23.49 67.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.765 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -97.04 23.32 7.4 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.004 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 84.92 -57.34 5.01 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.356 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 3.7 tmm? 43.79 21.39 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.5 HG23 ' HG3' ' A' ' 11' ' ' GLU . 3.7 m -59.05 -29.91 42.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.8 0.333 . . . . 0.0 111.19 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.5 ' HG3' HG23 ' A' ' 10' ' ' VAL . 2.6 mt-10 -93.08 125.09 37.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -60.56 121.26 11.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.903 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 32.0 p . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 179.958 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 23.2 mtt180 . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.811 0.339 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.3 t -91.63 73.23 5.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.6 t -97.3 29.79 3.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.665 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 43.4 m170 -79.99 141.78 55.12 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.853 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -53.39 -24.27 27.09 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.233 1.956 . . . . 0.0 111.625 179.346 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -84.01 -34.24 24.36 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.641 179.64 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -73.53 -54.9 7.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.826 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.641 ' O ' HG23 ' A' ' 10' ' ' VAL . . . 149.48 65.91 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.406 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.43 92.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.803 0.335 . . . . 0.0 110.956 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.641 HG23 ' O ' ' A' ' 8' ' ' GLY . 28.7 t -108.07 -31.03 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.019 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -98.11 133.53 42.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.2 94.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.95 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.8 p . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 179.97 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 4.8 tpt180 . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.785 0.326 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.445 ' HA ' ' CE1' ' A' ' 4' ' ' HIS . 0.5 OUTLIER -87.77 72.79 9.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 10.2 t -97.78 27.82 4.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.012 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.445 ' CE1' ' HA ' ' A' ' 2' ' ' CYS . 1.4 m80 -89.93 148.87 40.66 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.93 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -51.29 -47.31 26.54 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.587 2.192 . . . . 0.0 112.376 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -59.58 -30.19 68.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -83.55 -65.5 1.0 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 164.63 73.06 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.443 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.405 ' O ' ' HG2' ' A' ' 9' ' ' MET . 0.0 OUTLIER -85.84 33.06 0.59 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.788 0.328 . . . . 0.0 111.518 -179.821 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 28.9 t -75.54 -31.02 22.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.838 0.352 . . . . 0.0 111.084 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -97.83 130.5 44.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -60.14 99.71 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 32.1 p . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.993 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 8.6 ttp180 . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.836 0.35 . . . . 0.0 111.223 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.427 ' HA ' ' CE1' ' A' ' 4' ' ' HIS . 0.5 OUTLIER -89.27 72.92 8.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.796 -179.959 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.7 t -97.83 27.91 4.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.97 -179.919 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.427 ' CE1' ' HA ' ' A' ' 2' ' ' CYS . 1.3 m80 -90.28 148.61 39.53 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.93 -179.819 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -51.53 -46.66 30.32 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.595 2.196 . . . . 0.0 112.337 179.967 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -59.63 -30.44 68.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.841 179.931 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -83.18 -31.62 27.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.409 ' O ' HG23 ' A' ' 10' ' ' VAL . . . 120.13 52.1 0.26 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.361 -179.951 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.27 92.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.795 0.331 . . . . 0.0 110.985 -179.914 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.409 HG23 ' O ' ' A' ' 8' ' ' GLY . 21.5 t -79.51 -31.17 13.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.075 179.917 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -113.56 129.91 56.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 179.911 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -58.73 102.13 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.964 -179.98 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 40.2 m . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 180.0 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.81 0.338 . . . . 0.0 111.164 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 30.0 t -82.33 87.88 6.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -96.96 29.99 2.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.737 179.717 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 45.6 m170 -79.97 145.53 61.6 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.872 -179.942 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -53.39 -24.37 27.44 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.27 1.98 . . . . 0.0 111.659 179.372 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -78.07 -36.6 48.06 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.687 179.711 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.3 m -73.87 -31.2 63.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.845 179.976 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 107.99 61.42 0.55 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.255 -179.884 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.15 66.01 0.27 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.833 0.349 . . . . 0.0 111.01 -179.844 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.495 HG23 ' HG2' ' A' ' 11' ' ' GLU . 5.2 m -68.52 -31.52 51.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.973 179.858 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.495 ' HG2' HG23 ' A' ' 10' ' ' VAL . 66.1 mm-40 -100.91 133.9 44.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.683 179.843 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -46.6 122.35 4.12 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.265 -179.883 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.9 m . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.868 -179.877 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.757 0.313 . . . . 0.0 111.192 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.5 t -109.0 72.03 0.8 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.84 -179.98 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -97.2 30.73 2.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.657 179.783 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 42.1 m170 -79.99 143.28 57.14 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.867 -179.892 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -53.66 -24.07 28.35 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.22 1.947 . . . . 0.0 111.617 179.349 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -84.84 -34.41 22.67 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.637 179.671 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -74.0 -48.91 26.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.867 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 135.68 67.07 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.4 -179.982 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.54 71.93 0.21 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.894 0.378 . . . . 0.0 110.98 -179.917 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.414 HG22 ' H ' ' A' ' 10' ' ' VAL . 5.9 m -69.32 -31.28 49.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.138 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -102.45 132.61 48.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.877 179.952 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -57.62 98.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.98 -179.964 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 51.5 m . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 179.968 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 42.3 mtm180 . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.846 0.355 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 21.5 t -115.74 86.54 2.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.96 179.993 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -96.79 27.12 4.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.813 179.705 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 46.8 m170 -79.97 145.45 61.43 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.921 -179.95 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -53.63 -24.08 28.17 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.274 1.982 . . . . 0.0 111.67 179.323 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -74.61 -38.34 62.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.732 179.749 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.3 m -73.64 -30.28 62.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.824 179.98 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 116.32 59.68 0.33 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.369 180.0 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -88.95 70.54 8.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.872 0.367 . . . . 0.0 110.939 -179.964 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 10.7 p -64.55 -30.86 51.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.022 179.887 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -94.27 134.46 36.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.826 179.903 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -54.71 107.82 0.33 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.96 -179.93 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 7.6 m . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.932 -179.975 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.83 0.348 . . . . 0.0 111.168 . . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.438 ' HA ' ' CE1' ' A' ' 4' ' ' HIS . 0.6 OUTLIER -97.56 72.93 2.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.825 -179.991 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.2 t -97.52 28.23 3.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.949 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.438 ' CE1' ' HA ' ' A' ' 2' ' ' CYS . 1.3 m80 -91.04 148.4 37.89 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.981 -179.777 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -51.99 -45.93 35.59 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.589 2.192 . . . . 0.0 112.342 179.953 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -59.38 -31.15 68.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.86 179.903 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -81.72 -30.9 32.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 179.938 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 125.58 64.28 0.17 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.455 -179.913 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.57 87.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.83 0.348 . . . . 0.0 110.962 -179.877 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.583 ' O ' HG12 ' A' ' 10' ' ' VAL . 15.8 t -134.17 29.86 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.988 179.943 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -150.05 134.16 17.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.806 -179.977 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -71.3 90.15 0.92 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.568 179.924 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 11.0 m . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 -179.974 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.809 0.338 . . . . 0.0 111.172 . . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.435 ' HA ' ' CE1' ' A' ' 4' ' ' HIS . 0.6 OUTLIER -89.01 72.75 8.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 179.993 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 10.1 t -97.62 27.79 4.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.914 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.435 ' CE1' ' HA ' ' A' ' 2' ' ' CYS . 1.4 m80 -90.31 148.16 38.43 Favored Pre-proline 0 N--CA 1.453 -0.323 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.909 -179.802 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -52.18 -44.31 47.0 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.553 2.168 . . . . 0.0 112.268 179.959 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -60.42 -31.48 70.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 179.942 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -80.77 -31.0 36.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 179.945 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 105.67 64.31 0.64 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.409 -179.973 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 1.2 ptt? -78.44 85.2 4.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.84 0.353 . . . . 0.0 110.993 179.978 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -105.99 28.58 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.105 179.952 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -149.97 133.74 16.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.872 -180.0 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -57.96 89.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.976 179.958 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.2 m . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.972 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 23.0 ttm105 . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.822 0.344 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 9.8 t -80.38 90.92 5.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.912 -179.954 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.9 t -95.29 20.08 9.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.085 179.864 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 44.4 m170 -83.99 142.24 41.47 Favored Pre-proline 0 N--CA 1.453 -0.283 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.924 -179.949 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_exo -54.9 -23.2 33.3 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.297 1.998 . . . . 0.0 111.924 179.527 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 -67.95 -30.42 69.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.931 179.899 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.5 p -106.96 28.47 7.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.996 179.973 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.466 ' O ' HG23 ' A' ' 10' ' ' VAL . . . 56.19 74.12 0.36 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.611 179.926 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -67.0 76.08 0.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.817 0.342 . . . . 0.0 110.881 179.948 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 8' ' ' GLY . 21.4 t -81.59 -29.49 10.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.186 -179.977 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -89.97 115.79 27.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.904 -179.967 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -59.94 121.65 12.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.989 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.9 p . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.977 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 3.0 tmt_? . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.832 0.349 . . . . 0.0 111.17 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.8 t -127.73 83.41 2.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.947 179.987 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.6 t -97.22 29.02 3.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.752 179.77 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 45.8 m170 -79.95 141.17 54.54 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.921 -179.918 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -54.14 -23.65 30.13 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.276 1.984 . . . . 0.0 111.808 179.484 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -81.8 -37.48 27.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.763 179.854 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.2 -30.86 71.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.821 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.576 ' O ' HG23 ' A' ' 10' ' ' VAL . . . 113.69 43.72 0.8 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.427 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.14 83.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.838 0.351 . . . . 0.0 110.919 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 8' ' ' GLY . 21.5 t -85.84 -31.23 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.075 179.957 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -105.94 131.85 52.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.862 179.979 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.76 96.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.943 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 7.4 p . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 179.985 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.799 0.333 . . . . 0.0 111.195 . . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 48.3 t -80.65 120.25 24.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.916 179.941 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -112.98 20.71 16.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.073 179.829 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 28.0 m170 -85.92 143.63 37.97 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.013 -179.908 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_exo -55.01 -22.49 31.07 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.257 1.972 . . . . 0.0 111.78 179.416 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -65.64 -47.3 76.03 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.02 179.926 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 8.0 p -83.22 -30.21 27.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.985 -179.898 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 125.63 80.98 0.41 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.555 179.907 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -78.24 62.27 2.9 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.933 0.397 . . . . 0.0 110.874 179.918 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.2 p -97.7 -29.03 3.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.171 -179.929 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -89.89 123.69 34.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.938 -179.986 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.78 85.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 179.994 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.9 p . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 -179.996 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 7.5 ttm180 . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 120.851 0.357 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.44 ' HA ' ' CE1' ' A' ' 4' ' ' HIS . 0.5 OUTLIER -89.46 73.02 7.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.832 179.96 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.8 t -97.62 27.91 4.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.959 -179.965 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.44 ' CE1' ' HA ' ' A' ' 2' ' ' CYS . 1.3 m80 -90.54 148.69 39.29 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.942 -179.808 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -51.59 -47.4 26.42 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.592 2.195 . . . . 0.0 112.353 179.964 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -58.93 -30.96 68.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.852 179.96 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -82.39 -31.07 29.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.58 ' O ' HG23 ' A' ' 10' ' ' VAL . . . 125.83 66.02 0.17 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.345 -179.939 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 1.6 ppp? -61.08 85.5 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.845 0.355 . . . . 0.0 111.037 -179.935 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.58 HG23 ' O ' ' A' ' 8' ' ' GLY . 21.5 t -110.32 -31.58 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.999 179.926 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -101.92 133.18 47.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.735 179.942 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.09 110.72 0.51 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.011 -179.955 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.8 m . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 179.998 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.762 0.315 . . . . 0.0 111.188 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 29.1 t -96.85 89.59 4.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 23.3 p -97.33 27.98 3.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.755 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 50.7 m170 -84.46 143.83 42.18 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -53.65 -23.8 27.31 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.216 1.944 . . . . 0.0 111.777 179.384 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -72.49 -36.59 68.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.795 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.6 m -75.63 -30.48 59.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.947 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 114.11 38.09 1.17 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.427 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.57 91.42 0.28 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.828 0.347 . . . . 0.0 110.924 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 15.3 m -57.72 -29.3 34.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.205 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -110.06 131.11 55.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -57.93 122.72 13.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.959 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -58.99 155.51 13.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.904 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.4 ptt180 -69.73 -37.85 76.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 50.7 tttt . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.182 -0.913 . . . . 0.0 110.919 -179.992 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 53.5 mtm-85 . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.839 0.352 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.447 ' HA ' ' CE1' ' A' ' 4' ' ' HIS . 0.5 OUTLIER -91.01 70.47 6.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.805 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 12.1 t -97.7 27.98 4.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.929 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.447 ' CE1' ' HA ' ' A' ' 2' ' ' CYS . 1.4 m80 -90.25 149.23 40.88 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.91 -179.787 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_exo -50.99 -46.78 28.88 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.543 2.162 . . . . 0.0 112.325 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.07 -30.91 68.42 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.695 179.761 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -84.91 -31.52 23.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.773 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 128.94 65.03 0.11 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.43 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.95 87.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.889 0.376 . . . . 0.0 110.865 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.7 p -112.13 -31.65 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.164 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -98.71 132.43 44.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -60.0 119.56 8.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.9 m -130.33 126.62 37.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 12.2 mtt-85 -65.2 143.94 57.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.889 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.209 -0.901 . . . . 0.0 110.881 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.486 1.375 0 CA-C-O 120.878 0.371 . . . . 0.0 111.106 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.445 ' HA ' ' CE1' ' A' ' 4' ' ' HIS . 0.6 OUTLIER -85.02 71.91 10.88 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.827 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -98.1 28.02 4.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.936 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.445 ' CE1' ' HA ' ' A' ' 2' ' ' CYS . 1.6 m80 -90.2 149.11 40.75 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.052 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -51.18 -45.95 33.98 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.576 2.184 . . . . 0.0 112.35 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -59.7 -31.42 69.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.75 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -82.81 -41.31 19.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 129.27 73.13 0.14 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.476 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.77 74.81 1.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.839 0.352 . . . . 0.0 110.866 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 26.0 t -99.34 -31.58 3.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.032 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -97.52 133.79 41.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.843 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.38 92.1 0.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.59 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.2 m -78.25 162.93 26.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.926 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 16.3 mtm180 60.94 79.96 0.23 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.5 tptt . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.891 -179.999 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 9.3 ttp180 . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.852 0.358 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.5 t -106.69 83.12 1.81 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.953 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -97.15 29.31 3.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.709 179.777 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 45.4 m170 -79.96 140.58 54.09 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.887 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -53.96 -23.76 29.27 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.228 1.952 . . . . 0.0 111.763 179.403 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -82.47 -35.55 27.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.743 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -67.23 -50.68 59.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.836 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 135.07 44.08 0.11 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.469 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -71.97 87.96 1.05 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.824 0.345 . . . . 0.0 110.908 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.402 ' H ' HG22 ' A' ' 10' ' ' VAL . 4.5 m -62.9 -30.9 50.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.196 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -103.83 131.98 50.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.867 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -60.13 121.33 11.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.6 m -94.52 178.67 5.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.43 79.87 0.23 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.1 mttm . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.253 -0.88 . . . . 0.0 110.859 179.983 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 35.4 mtm180 . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.829 0.347 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 22.7 t -88.94 89.72 8.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.962 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -97.26 28.29 3.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.749 179.744 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 46.8 m170 -80.01 143.82 58.06 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -54.06 -23.6 29.38 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.321 2.014 . . . . 0.0 111.752 179.493 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -77.65 -38.02 48.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.77 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.2 m -69.77 -30.58 68.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.901 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 111.08 51.69 0.59 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.445 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.29 83.74 6.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.823 0.344 . . . . 0.0 110.925 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.5 t -69.9 -29.8 41.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.097 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -89.91 135.12 33.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.892 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -54.99 106.66 0.24 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.017 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.1 m -67.1 140.46 57.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.11 -35.47 77.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 49.7 mttt . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.216 -0.897 . . . . 0.0 110.883 179.957 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.821 0.343 . . . . 0.0 111.202 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.4 t -116.51 48.32 1.29 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 9.1 t -90.99 60.13 4.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.14 179.551 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.409 ' CB ' ' CD ' ' A' ' 5' ' ' PRO . 0.2 OUTLIER -146.15 172.06 5.72 Favored Pre-proline 0 N--CA 1.452 -0.371 0 CA-C-O 121.376 0.607 . . . . 0.0 112.063 -178.792 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.409 ' CD ' ' CB ' ' A' ' 4' ' ' HIS . 68.2 Cg_exo -48.23 -34.96 25.71 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 123.326 2.684 . . . . 0.0 112.491 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -57.61 -31.19 65.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.042 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.3 m -108.39 -30.11 8.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 125.57 72.04 0.2 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.444 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -68.9 71.06 0.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.878 0.37 . . . . 0.0 110.922 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.6 t -126.64 -43.47 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.135 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -90.01 133.55 34.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.849 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -56.11 101.83 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.03 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 12.2 m -64.76 -170.98 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.973 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 28.1 mtm-85 61.1 75.9 0.39 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.9 mmtm . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.207 -0.901 . . . . 0.0 110.924 -179.981 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.793 0.33 . . . . 0.0 111.181 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.8 t -112.84 79.96 1.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.934 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.1 t -97.19 28.58 3.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.768 179.749 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 45.7 m170 -79.95 139.67 53.66 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.924 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -54.22 -23.52 30.08 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.263 1.976 . . . . 0.0 111.847 179.47 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -84.07 -36.06 23.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.801 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.41 -31.0 71.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 106.75 49.99 0.87 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.469 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -75.61 63.98 1.62 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.911 0.386 . . . . 0.0 110.896 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.679 HG23 ' OE1' ' A' ' 11' ' ' GLU . 4.4 m -63.6 -30.05 48.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.187 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.679 ' OE1' HG23 ' A' ' 10' ' ' VAL . 3.1 mp0 -101.97 132.87 47.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -58.61 97.35 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.956 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 24.6 p -60.18 145.0 48.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.937 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.8 mmm180 -103.06 112.09 24.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.6 ttmt . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.248 -0.882 . . . . 0.0 110.857 -179.969 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 24.6 mtp180 . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.779 0.323 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.444 ' HA ' ' CE1' ' A' ' 4' ' ' HIS . 0.6 OUTLIER -87.78 72.77 9.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.828 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.7 t -97.85 27.85 4.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.992 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.444 ' CE1' ' HA ' ' A' ' 2' ' ' CYS . 1.4 m80 -90.22 148.24 38.76 Favored Pre-proline 0 N--CA 1.453 -0.31 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.979 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -51.89 -44.53 44.46 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.532 2.154 . . . . 0.0 112.278 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -60.28 -31.43 70.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.784 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -81.46 -45.32 16.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 135.88 61.2 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.468 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.71 80.5 1.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.856 0.36 . . . . 0.0 110.879 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.0 p -110.76 -31.59 2.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.124 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -96.07 133.79 39.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.32 105.67 0.31 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.1 m -85.69 164.52 17.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 26.9 mmt85 -148.72 164.55 34.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.0 mmmt . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.897 179.972 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.823 0.344 . . . . 0.0 111.182 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 23.5 t -79.95 97.69 6.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.97 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 29.9 t -97.14 26.71 4.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.759 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 49.4 m170 -81.11 137.36 49.51 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.943 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_exo -54.73 -23.19 32.09 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.283 1.989 . . . . 0.0 111.959 179.556 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -79.06 -38.98 35.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.889 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.1 m -60.25 -29.7 68.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.9 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 102.14 38.31 3.13 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.491 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.97 89.89 0.8 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.796 0.332 . . . . 0.0 110.958 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.8 t -76.15 -30.4 20.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.087 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -89.98 134.99 33.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.819 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -55.82 106.52 0.26 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.025 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.6 p -118.75 47.0 1.73 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 28.1 mtm-85 -76.73 -178.24 4.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.886 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 53.8 tttt . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.262 -0.875 . . . . 0.0 110.868 179.987 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.4 tpt180 . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.824 0.345 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.436 ' HA ' ' CE1' ' A' ' 4' ' ' HIS . 0.6 OUTLIER -85.37 73.11 10.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.857 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 22.4 t -98.08 28.03 4.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.979 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.436 ' CE1' ' HA ' ' A' ' 2' ' ' CYS . 1.3 m80 -90.41 148.92 40.01 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.973 -179.784 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -51.36 -47.22 27.07 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.569 2.179 . . . . 0.0 112.268 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.86 -30.59 67.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.794 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -83.59 -38.21 21.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.845 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 128.79 57.35 0.11 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.426 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -66.28 78.12 0.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.888 0.375 . . . . 0.0 110.871 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 10.5 p -102.8 -30.86 2.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.011 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -93.76 134.11 36.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -59.34 119.89 8.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.954 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 32.0 p -125.04 133.53 52.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 6.7 mtt85 -85.23 -31.54 23.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.83 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.193 -0.908 . . . . 0.0 110.923 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.839 0.352 . . . . 0.0 111.157 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.444 ' HA ' ' CE1' ' A' ' 4' ' ' HIS . 0.6 OUTLIER -91.98 72.83 5.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.845 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.7 t -97.66 27.77 4.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.948 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.444 ' CE1' ' HA ' ' A' ' 2' ' ' CYS . 1.3 m80 -90.31 148.13 38.37 Favored Pre-proline 0 N--CA 1.453 -0.309 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.937 -179.815 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -52.09 -44.41 45.98 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.637 2.225 . . . . 0.0 112.273 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 20.7 tm0? -60.4 -31.47 70.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.806 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -80.92 -35.04 32.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.838 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 124.27 54.06 0.19 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.481 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.07 88.46 0.79 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.829 0.347 . . . . 0.0 110.904 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 12.2 p -110.54 -31.17 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.076 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -101.09 132.95 46.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.92 114.94 2.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.004 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 10.9 m -93.55 47.9 1.27 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 36.9 mmt180 -113.18 -36.72 4.96 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.898 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.1 pttp . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.954 179.949 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 4.9 ptt-85 . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.936 0.398 . . . . 0.0 111.124 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 25.2 t -80.01 89.75 5.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.913 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 13.9 t -97.06 27.43 4.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.807 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 46.9 m170 -79.98 143.8 58.12 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -53.82 -23.98 29.19 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.248 1.965 . . . . 0.0 111.757 179.437 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -76.27 -37.54 57.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.733 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.3 m -71.56 -31.16 66.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.859 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 118.21 43.7 0.55 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.419 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.09 77.65 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.864 0.364 . . . . 0.0 110.982 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 10.8 p -92.57 -31.11 4.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.009 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -99.02 133.5 43.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.808 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -56.42 95.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.968 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 23.9 p -70.13 68.29 0.32 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.934 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 28.1 ptt180 44.47 37.24 1.98 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.415 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.3 mtmt . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.186 -0.911 . . . . 0.0 110.837 179.976 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.846 0.355 . . . . 0.0 111.149 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.446 ' HA ' ' CE1' ' A' ' 4' ' ' HIS . 0.5 OUTLIER -88.97 72.6 8.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.826 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.6 t -97.9 27.61 4.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.011 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.446 ' CE1' ' HA ' ' A' ' 2' ' ' CYS . 1.4 m80 -89.52 149.04 41.67 Favored Pre-proline 0 N--CA 1.453 -0.318 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.949 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_exo -50.94 -48.11 22.47 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.542 2.161 . . . . 0.0 112.358 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -59.12 -30.17 67.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -84.17 -48.18 10.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.682 ' O ' HG23 ' A' ' 10' ' ' VAL . . . 137.22 67.08 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.367 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.22 92.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.858 0.361 . . . . 0.0 111.023 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.682 HG23 ' O ' ' A' ' 8' ' ' GLY . 21.4 t -97.13 -31.17 3.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.059 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -101.85 132.83 47.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -58.71 91.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.977 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 49.3 m -98.89 124.17 43.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.853 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.6 ptt180 -156.59 -50.87 0.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.94 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.1 tttt . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.173 -0.918 . . . . 0.0 110.92 180.0 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 13.8 ttm180 . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.812 0.339 . . . . 0.0 111.182 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 2.0 t -87.46 80.1 8.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.962 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.7 t -97.2 29.06 3.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.74 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 45.6 m170 -79.97 139.91 53.68 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.898 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -54.21 -23.56 30.24 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.271 1.981 . . . . 0.0 111.782 179.498 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.9 mp0 -84.15 -35.8 23.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.826 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.95 -48.84 69.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.906 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.662 ' O ' HG23 ' A' ' 10' ' ' VAL . . . 132.88 49.5 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.443 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 1.3 ptp -60.26 86.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.847 0.356 . . . . 0.0 110.878 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 8' ' ' GLY . 21.5 t -90.49 -31.28 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.058 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -106.56 131.65 53.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -59.2 89.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.959 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 7.5 p -60.21 153.82 21.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.921 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.4 mmm-85 -62.29 -74.5 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.7 mptt . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.274 -0.87 . . . . 0.0 110.918 -179.995 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 5.0 ptt85 . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.793 0.33 . . . . 0.0 111.181 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.433 ' HA ' ' CE1' ' A' ' 4' ' ' HIS . 0.7 OUTLIER -79.94 72.72 6.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.841 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 24.8 t -97.63 27.79 4.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.433 ' CE1' ' HA ' ' A' ' 2' ' ' CYS . 1.4 m80 -90.32 147.56 37.07 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.974 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -52.64 -41.42 69.02 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.526 2.151 . . . . 0.0 112.255 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -62.13 -31.82 72.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -79.62 -62.57 1.65 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 146.22 61.78 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.495 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 2.6 ptp -67.72 91.22 0.3 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.788 0.328 . . . . 0.0 110.901 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.5 t -86.39 -32.47 6.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -109.01 130.28 55.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.925 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -60.33 86.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.2 p -62.95 100.65 0.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 28.5 mmm180 -84.21 169.95 14.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.8 mttm . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.917 179.963 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.782 0.325 . . . . 0.0 111.221 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.44 ' HA ' ' CE1' ' A' ' 4' ' ' HIS . 0.5 OUTLIER -86.53 75.04 9.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.842 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 30.8 t -96.75 34.29 1.71 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.845 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.44 ' CE1' ' HA ' ' A' ' 2' ' ' CYS . 1.2 m80 -98.36 148.21 34.2 Favored Pre-proline 0 N--CA 1.451 -0.406 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.943 -179.705 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -52.85 -50.04 15.44 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.566 2.177 . . . . 0.0 112.425 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -58.49 -29.67 66.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.052 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -81.78 -64.83 1.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.588 ' O ' HG22 ' A' ' 10' ' ' VAL . . . 168.62 40.63 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.332 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.73 76.73 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.833 0.349 . . . . 0.0 110.903 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.588 HG22 ' O ' ' A' ' 8' ' ' GLY . 0.4 OUTLIER -104.98 -30.87 2.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.061 179.865 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -102.57 132.74 48.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -58.02 109.59 0.77 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.943 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 19.4 p -93.45 144.79 25.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 6.8 mmt180 -150.14 84.96 1.39 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.272 -0.871 . . . . 0.0 110.873 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 54.7 ttt180 . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.76 0.314 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 53.0 t -102.82 118.18 36.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.975 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.8 p -111.39 17.46 20.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.04 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 31.8 m170 -80.0 143.83 58.12 Favored Pre-proline 0 N--CA 1.454 -0.254 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.88 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_exo -54.78 -22.86 31.05 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.158 1.905 . . . . 0.0 111.844 179.423 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -66.3 -47.1 74.7 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.877 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 8.2 p -84.61 -43.78 14.11 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.951 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.639 ' O ' HG23 ' A' ' 10' ' ' VAL . . . 149.45 79.69 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.516 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 9.4 ptm -58.89 87.82 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.946 0.403 . . . . 0.0 111.031 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.639 HG23 ' O ' ' A' ' 8' ' ' GLY . 28.5 t -110.16 -32.84 2.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.137 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -106.26 117.12 33.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.26 79.3 0.05 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.991 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.6 p -67.56 132.14 46.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.1 mtt-85 -97.89 150.06 21.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.3 mtmp? . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.276 -0.868 . . . . 0.0 110.937 -179.999 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 27.3 ttm180 . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.809 0.338 . . . . 0.0 111.181 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.456 ' HA ' ' CE1' ' A' ' 4' ' ' HIS . 0.5 OUTLIER -88.73 61.4 5.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.803 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 9.7 t -94.92 39.31 1.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.863 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.456 ' CE1' ' HA ' ' A' ' 2' ' ' CYS . 1.4 m80 -103.57 149.63 37.26 Favored Pre-proline 0 N--CA 1.45 -0.455 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.955 -179.584 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_exo -50.65 -44.32 41.09 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.528 2.152 . . . . 0.0 112.271 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -64.19 -23.49 67.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.765 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -97.04 23.32 7.4 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.004 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 84.92 -57.34 5.01 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.356 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 3.7 tmm? 43.79 21.39 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.5 HG23 ' HG3' ' A' ' 11' ' ' GLU . 3.7 m -59.05 -29.91 42.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.8 0.333 . . . . 0.0 111.19 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.5 ' HG3' HG23 ' A' ' 10' ' ' VAL . 2.6 mt-10 -93.08 125.09 37.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -60.56 121.26 11.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.903 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 32.0 p -102.12 122.06 43.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 12.7 mmt85 -97.27 -74.33 0.58 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.6 ttmt . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.217 -0.897 . . . . 0.0 110.895 179.987 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 23.2 mtt180 . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.811 0.339 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.3 t -91.63 73.23 5.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.6 t -97.3 29.79 3.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.665 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 43.4 m170 -79.99 141.78 55.12 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.853 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -53.39 -24.27 27.09 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.233 1.956 . . . . 0.0 111.625 179.346 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -84.01 -34.24 24.36 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.641 179.64 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -73.53 -54.9 7.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.826 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.641 ' O ' HG23 ' A' ' 10' ' ' VAL . . . 149.48 65.91 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.406 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.43 92.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.803 0.335 . . . . 0.0 110.956 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.641 HG23 ' O ' ' A' ' 8' ' ' GLY . 28.7 t -108.07 -31.03 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.019 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -98.11 133.53 42.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.2 94.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.95 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.8 p -107.37 47.78 0.87 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -118.23 40.04 3.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.272 -0.871 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 4.8 tpt180 . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.785 0.326 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.445 ' HA ' ' CE1' ' A' ' 4' ' ' HIS . 0.5 OUTLIER -87.77 72.79 9.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 10.2 t -97.78 27.82 4.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.012 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.445 ' CE1' ' HA ' ' A' ' 2' ' ' CYS . 1.4 m80 -89.93 148.87 40.66 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.93 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -51.29 -47.31 26.54 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.587 2.192 . . . . 0.0 112.376 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -59.58 -30.19 68.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -83.55 -65.5 1.0 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 164.63 73.06 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.443 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.405 ' O ' ' HG2' ' A' ' 9' ' ' MET . 0.0 OUTLIER -85.84 33.06 0.59 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.788 0.328 . . . . 0.0 111.518 -179.821 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 28.9 t -75.54 -31.02 22.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.838 0.352 . . . . 0.0 111.084 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -97.83 130.5 44.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -60.14 99.71 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 32.1 p -83.3 156.26 23.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 42.8 ptt85 -63.16 169.18 3.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 28.0 tttp . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.187 -0.911 . . . . 0.0 110.893 179.97 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 8.6 ttp180 . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.836 0.35 . . . . 0.0 111.223 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.427 ' HA ' ' CE1' ' A' ' 4' ' ' HIS . 0.5 OUTLIER -89.27 72.92 8.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.796 -179.959 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.7 t -97.83 27.91 4.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.97 -179.919 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.427 ' CE1' ' HA ' ' A' ' 2' ' ' CYS . 1.3 m80 -90.28 148.61 39.53 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.93 -179.819 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -51.53 -46.66 30.32 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.595 2.196 . . . . 0.0 112.337 179.967 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -59.63 -30.44 68.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.841 179.931 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -83.18 -31.62 27.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.409 ' O ' HG23 ' A' ' 10' ' ' VAL . . . 120.13 52.1 0.26 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.361 -179.951 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.27 92.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.795 0.331 . . . . 0.0 110.985 -179.914 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.409 HG23 ' O ' ' A' ' 8' ' ' GLY . 21.5 t -79.51 -31.17 13.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.075 179.917 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -113.56 129.91 56.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 179.911 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -58.73 102.13 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.964 -179.98 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 40.2 m -88.05 -178.45 5.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -133.91 34.99 3.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.918 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.4 mttt . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.23 -0.891 . . . . 0.0 110.906 179.985 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.81 0.338 . . . . 0.0 111.164 . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 30.0 t -82.33 87.88 6.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -96.96 29.99 2.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.737 179.717 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 45.6 m170 -79.97 145.53 61.6 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.872 -179.942 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -53.39 -24.37 27.44 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.27 1.98 . . . . 0.0 111.659 179.372 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -78.07 -36.6 48.06 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.687 179.711 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.3 m -73.87 -31.2 63.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.845 179.976 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 107.99 61.42 0.55 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.255 -179.884 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.15 66.01 0.27 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.833 0.349 . . . . 0.0 111.01 -179.844 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.495 HG23 ' HG2' ' A' ' 11' ' ' GLU . 5.2 m -68.52 -31.52 51.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.973 179.858 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.495 ' HG2' HG23 ' A' ' 10' ' ' VAL . 66.1 mm-40 -100.91 133.9 44.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.683 179.843 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -46.6 122.35 4.12 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.265 -179.883 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.9 m -64.9 122.8 17.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.868 -179.877 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.2 mmm180 -97.13 -71.62 0.67 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 -179.976 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.6 ttpm? . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.22 -0.895 . . . . 0.0 110.885 -179.989 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.757 0.313 . . . . 0.0 111.192 . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.5 t -109.0 72.03 0.8 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.84 -179.98 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -97.2 30.73 2.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.657 179.783 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 42.1 m170 -79.99 143.28 57.14 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.867 -179.892 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -53.66 -24.07 28.35 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.22 1.947 . . . . 0.0 111.617 179.349 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -84.84 -34.41 22.67 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.637 179.671 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -74.0 -48.91 26.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.867 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 135.68 67.07 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.4 -179.982 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.54 71.93 0.21 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.894 0.378 . . . . 0.0 110.98 -179.917 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.414 HG22 ' H ' ' A' ' 10' ' ' VAL . 5.9 m -69.32 -31.28 49.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.138 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -102.45 132.61 48.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.877 179.952 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -57.62 98.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.98 -179.964 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 51.5 m -90.78 115.38 27.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 179.968 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 6.5 mmt180 -91.95 -74.53 0.51 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 179.981 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.8 mtpp . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.91 -179.98 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 42.3 mtm180 . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.846 0.355 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 21.5 t -115.74 86.54 2.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.96 179.993 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -96.79 27.12 4.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.813 179.705 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 46.8 m170 -79.97 145.45 61.43 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.921 -179.95 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -53.63 -24.08 28.17 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.274 1.982 . . . . 0.0 111.67 179.323 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -74.61 -38.34 62.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.732 179.749 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.3 m -73.64 -30.28 62.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.824 179.98 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 116.32 59.68 0.33 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.369 180.0 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -88.95 70.54 8.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.872 0.367 . . . . 0.0 110.939 -179.964 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 10.7 p -64.55 -30.86 51.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.022 179.887 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -94.27 134.46 36.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.826 179.903 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -54.71 107.82 0.33 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.96 -179.93 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 7.6 m -68.71 124.41 23.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.932 -179.975 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.1 mmt85 -133.22 -63.57 0.76 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.97 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 54.4 mmtt . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.216 -0.897 . . . . 0.0 110.923 179.986 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.83 0.348 . . . . 0.0 111.168 . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.438 ' HA ' ' CE1' ' A' ' 4' ' ' HIS . 0.6 OUTLIER -97.56 72.93 2.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.825 -179.991 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.2 t -97.52 28.23 3.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.949 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.438 ' CE1' ' HA ' ' A' ' 2' ' ' CYS . 1.3 m80 -91.04 148.4 37.89 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.981 -179.777 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -51.99 -45.93 35.59 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.589 2.192 . . . . 0.0 112.342 179.953 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -59.38 -31.15 68.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.86 179.903 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -81.72 -30.9 32.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 179.938 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 125.58 64.28 0.17 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.455 -179.913 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.57 87.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.83 0.348 . . . . 0.0 110.962 -179.877 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.583 ' O ' HG12 ' A' ' 10' ' ' VAL . 15.8 t -134.17 29.86 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.988 179.943 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -150.05 134.16 17.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.806 -179.977 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -71.3 90.15 0.92 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.568 179.924 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 11.0 m -89.07 -171.5 3.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 -179.974 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.3 ptt180 -60.53 -31.28 70.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 -180.0 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.4 tttm . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.879 179.992 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.809 0.338 . . . . 0.0 111.172 . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.435 ' HA ' ' CE1' ' A' ' 4' ' ' HIS . 0.6 OUTLIER -89.01 72.75 8.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 179.993 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 10.1 t -97.62 27.79 4.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.914 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.435 ' CE1' ' HA ' ' A' ' 2' ' ' CYS . 1.4 m80 -90.31 148.16 38.43 Favored Pre-proline 0 N--CA 1.453 -0.323 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.909 -179.802 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -52.18 -44.31 47.0 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.553 2.168 . . . . 0.0 112.268 179.959 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -60.42 -31.48 70.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 179.942 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -80.77 -31.0 36.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 179.945 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 105.67 64.31 0.64 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.409 -179.973 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 1.2 ptt? -78.44 85.2 4.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.84 0.353 . . . . 0.0 110.993 179.978 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -105.99 28.58 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.105 179.952 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -149.97 133.74 16.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.872 -180.0 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -57.96 89.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.976 179.958 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.2 m -68.1 123.16 19.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.972 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.5 mtm180 -136.06 -175.31 3.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.216 -0.897 . . . . 0.0 110.898 179.971 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 23.0 ttm105 . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.822 0.344 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 9.8 t -80.38 90.92 5.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.912 -179.954 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.9 t -95.29 20.08 9.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.085 179.864 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 44.4 m170 -83.99 142.24 41.47 Favored Pre-proline 0 N--CA 1.453 -0.283 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.924 -179.949 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_exo -54.9 -23.2 33.3 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.297 1.998 . . . . 0.0 111.924 179.527 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 -67.95 -30.42 69.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.931 179.899 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.5 p -106.96 28.47 7.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.996 179.973 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.466 ' O ' HG23 ' A' ' 10' ' ' VAL . . . 56.19 74.12 0.36 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.611 179.926 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -67.0 76.08 0.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.817 0.342 . . . . 0.0 110.881 179.948 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 8' ' ' GLY . 21.4 t -81.59 -29.49 10.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.186 -179.977 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -89.97 115.79 27.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.904 -179.967 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -59.94 121.65 12.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.989 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.9 p -111.82 116.01 29.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.977 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.9 mtt-85 -80.84 135.34 35.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 179.936 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.243 -0.884 . . . . 0.0 110.897 -179.997 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 3.0 tmt_? . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.832 0.349 . . . . 0.0 111.17 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.8 t -127.73 83.41 2.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.947 179.987 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.6 t -97.22 29.02 3.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.752 179.77 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 45.8 m170 -79.95 141.17 54.54 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.921 -179.918 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -54.14 -23.65 30.13 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.276 1.984 . . . . 0.0 111.808 179.484 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -81.8 -37.48 27.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.763 179.854 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.2 -30.86 71.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.821 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.576 ' O ' HG23 ' A' ' 10' ' ' VAL . . . 113.69 43.72 0.8 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.427 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.14 83.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.838 0.351 . . . . 0.0 110.919 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 8' ' ' GLY . 21.5 t -85.84 -31.23 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.075 179.957 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -105.94 131.85 52.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.862 179.979 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.76 96.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.943 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 7.4 p -60.08 152.02 25.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 179.985 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.6 mtt-85 -60.21 -62.34 1.94 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.912 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.7 mmtt . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.238 -0.887 . . . . 0.0 110.942 179.973 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.799 0.333 . . . . 0.0 111.195 . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 48.3 t -80.65 120.25 24.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.916 179.941 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -112.98 20.71 16.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.073 179.829 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 28.0 m170 -85.92 143.63 37.97 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.013 -179.908 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_exo -55.01 -22.49 31.07 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.257 1.972 . . . . 0.0 111.78 179.416 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -65.64 -47.3 76.03 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.02 179.926 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 8.0 p -83.22 -30.21 27.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.985 -179.898 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 125.63 80.98 0.41 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.555 179.907 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -78.24 62.27 2.9 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.933 0.397 . . . . 0.0 110.874 179.918 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.2 p -97.7 -29.03 3.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.171 -179.929 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -89.89 123.69 34.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.938 -179.986 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.78 85.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 179.994 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.9 p -65.35 114.04 4.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 -179.996 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -119.91 115.66 24.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 179.996 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.9 mtpp . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.21 -0.9 . . . . 0.0 110.897 179.961 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 7.5 ttm180 . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 120.851 0.357 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.44 ' HA ' ' CE1' ' A' ' 4' ' ' HIS . 0.5 OUTLIER -89.46 73.02 7.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.832 179.96 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.8 t -97.62 27.91 4.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.959 -179.965 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.44 ' CE1' ' HA ' ' A' ' 2' ' ' CYS . 1.3 m80 -90.54 148.69 39.29 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.942 -179.808 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -51.59 -47.4 26.42 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.592 2.195 . . . . 0.0 112.353 179.964 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -58.93 -30.96 68.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.852 179.96 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -82.39 -31.07 29.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.58 ' O ' HG23 ' A' ' 10' ' ' VAL . . . 125.83 66.02 0.17 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.345 -179.939 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 1.6 ppp? -61.08 85.5 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.845 0.355 . . . . 0.0 111.037 -179.935 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.58 HG23 ' O ' ' A' ' 8' ' ' GLY . 21.5 t -110.32 -31.58 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.999 179.926 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -101.92 133.18 47.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.735 179.942 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.09 110.72 0.51 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.011 -179.955 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.8 m -64.88 96.79 0.2 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 179.998 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.9 mmm180 -62.12 84.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.4 mtpp . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.897 -179.991 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.762 0.315 . . . . 0.0 111.188 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 29.1 t -96.85 89.59 4.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 23.3 p -97.33 27.98 3.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.755 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 50.7 m170 -84.46 143.83 42.18 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -53.65 -23.8 27.31 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.216 1.944 . . . . 0.0 111.777 179.384 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -72.49 -36.59 68.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.795 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.6 m -75.63 -30.48 59.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.947 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 114.11 38.09 1.17 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.427 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.57 91.42 0.28 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.828 0.347 . . . . 0.0 110.924 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 15.3 m -57.72 -29.3 34.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.205 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -110.06 131.11 55.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -57.93 122.72 13.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.959 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.904 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 53.5 mtm-85 . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.839 0.352 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.447 ' HA ' ' CE1' ' A' ' 4' ' ' HIS . 0.5 OUTLIER -91.01 70.47 6.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.805 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 12.1 t -97.7 27.98 4.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.929 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.447 ' CE1' ' HA ' ' A' ' 2' ' ' CYS . 1.4 m80 -90.25 149.23 40.88 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.91 -179.787 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_exo -50.99 -46.78 28.88 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.543 2.162 . . . . 0.0 112.325 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.07 -30.91 68.42 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.695 179.761 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -84.91 -31.52 23.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.773 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 128.94 65.03 0.11 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.43 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.95 87.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.889 0.376 . . . . 0.0 110.865 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.7 p -112.13 -31.65 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.164 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -98.71 132.43 44.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -60.0 119.56 8.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.9 m . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 179.999 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.486 1.375 0 CA-C-O 120.878 0.371 . . . . 0.0 111.106 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.445 ' HA ' ' CE1' ' A' ' 4' ' ' HIS . 0.6 OUTLIER -85.02 71.91 10.88 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.827 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -98.1 28.02 4.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.936 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.445 ' CE1' ' HA ' ' A' ' 2' ' ' CYS . 1.6 m80 -90.2 149.11 40.75 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.052 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -51.18 -45.95 33.98 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.576 2.184 . . . . 0.0 112.35 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -59.7 -31.42 69.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.75 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -82.81 -41.31 19.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 129.27 73.13 0.14 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.476 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.77 74.81 1.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.839 0.352 . . . . 0.0 110.866 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 26.0 t -99.34 -31.58 3.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.032 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -97.52 133.79 41.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.843 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.38 92.1 0.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.59 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.2 m . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.926 -179.918 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 9.3 ttp180 . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.852 0.358 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.5 t -106.69 83.12 1.81 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.953 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -97.15 29.31 3.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.709 179.777 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 45.4 m170 -79.96 140.58 54.09 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.887 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -53.96 -23.76 29.27 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.228 1.952 . . . . 0.0 111.763 179.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -82.47 -35.55 27.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.743 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -67.23 -50.68 59.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.836 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 135.07 44.08 0.11 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.469 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -71.97 87.96 1.05 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.824 0.345 . . . . 0.0 110.908 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.402 ' H ' HG22 ' A' ' 10' ' ' VAL . 4.5 m -62.9 -30.9 50.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.196 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -103.83 131.98 50.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.867 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -60.13 121.33 11.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 179.967 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 35.4 mtm180 . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.829 0.347 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 22.7 t -88.94 89.72 8.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.962 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -97.26 28.29 3.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.749 179.744 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 46.8 m170 -80.01 143.82 58.06 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -54.06 -23.6 29.38 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.321 2.014 . . . . 0.0 111.752 179.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -77.65 -38.02 48.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.77 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.2 m -69.77 -30.58 68.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.901 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 111.08 51.69 0.59 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.445 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.29 83.74 6.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.823 0.344 . . . . 0.0 110.925 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.5 t -69.9 -29.8 41.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.097 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -89.91 135.12 33.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.892 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -54.99 106.66 0.24 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.017 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.1 m . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 -179.97 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.821 0.343 . . . . 0.0 111.202 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.4 t -116.51 48.32 1.29 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 9.1 t -90.99 60.13 4.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.14 179.551 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.409 ' CB ' ' CD ' ' A' ' 5' ' ' PRO . 0.2 OUTLIER -146.15 172.06 5.72 Favored Pre-proline 0 N--CA 1.452 -0.371 0 CA-C-O 121.376 0.607 . . . . 0.0 112.063 -178.792 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.409 ' CD ' ' CB ' ' A' ' 4' ' ' HIS . 68.2 Cg_exo -48.23 -34.96 25.71 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 123.326 2.684 . . . . 0.0 112.491 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -57.61 -31.19 65.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.042 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.3 m -108.39 -30.11 8.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 125.57 72.04 0.2 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.444 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -68.9 71.06 0.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.878 0.37 . . . . 0.0 110.922 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.6 t -126.64 -43.47 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.135 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -90.01 133.55 34.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.849 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -56.11 101.83 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.03 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 12.2 m . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.973 179.992 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.793 0.33 . . . . 0.0 111.181 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.8 t -112.84 79.96 1.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.934 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.1 t -97.19 28.58 3.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.768 179.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 45.7 m170 -79.95 139.67 53.66 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.924 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -54.22 -23.52 30.08 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.263 1.976 . . . . 0.0 111.847 179.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -84.07 -36.06 23.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.801 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.41 -31.0 71.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 106.75 49.99 0.87 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.469 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -75.61 63.98 1.62 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.911 0.386 . . . . 0.0 110.896 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.679 HG23 ' OE1' ' A' ' 11' ' ' GLU . 4.4 m -63.6 -30.05 48.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.187 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.679 ' OE1' HG23 ' A' ' 10' ' ' VAL . 3.1 mp0 -101.97 132.87 47.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -58.61 97.35 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.956 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 24.6 p . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.937 179.98 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 24.6 mtp180 . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.779 0.323 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.444 ' HA ' ' CE1' ' A' ' 4' ' ' HIS . 0.6 OUTLIER -87.78 72.77 9.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.828 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.7 t -97.85 27.85 4.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.992 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.444 ' CE1' ' HA ' ' A' ' 2' ' ' CYS . 1.4 m80 -90.22 148.24 38.76 Favored Pre-proline 0 N--CA 1.453 -0.31 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.979 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -51.89 -44.53 44.46 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.532 2.154 . . . . 0.0 112.278 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -60.28 -31.43 70.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.784 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -81.46 -45.32 16.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 135.88 61.2 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.468 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.71 80.5 1.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.856 0.36 . . . . 0.0 110.879 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.0 p -110.76 -31.59 2.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.124 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -96.07 133.79 39.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.32 105.67 0.31 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.1 m . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 -179.945 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.823 0.344 . . . . 0.0 111.182 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 23.5 t -79.95 97.69 6.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.97 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 29.9 t -97.14 26.71 4.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.759 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 49.4 m170 -81.11 137.36 49.51 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.943 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_exo -54.73 -23.19 32.09 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.283 1.989 . . . . 0.0 111.959 179.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -79.06 -38.98 35.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.889 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.1 m -60.25 -29.7 68.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.9 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 102.14 38.31 3.13 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.491 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.97 89.89 0.8 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.796 0.332 . . . . 0.0 110.958 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.8 t -76.15 -30.4 20.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.087 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -89.98 134.99 33.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.819 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -55.82 106.52 0.26 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.025 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.6 p . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 -179.992 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.4 tpt180 . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.824 0.345 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.436 ' HA ' ' CE1' ' A' ' 4' ' ' HIS . 0.6 OUTLIER -85.37 73.11 10.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.857 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 22.4 t -98.08 28.03 4.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.979 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.436 ' CE1' ' HA ' ' A' ' 2' ' ' CYS . 1.3 m80 -90.41 148.92 40.01 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.973 -179.784 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -51.36 -47.22 27.07 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.569 2.179 . . . . 0.0 112.268 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.86 -30.59 67.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.794 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -83.59 -38.21 21.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.845 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 128.79 57.35 0.11 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.426 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -66.28 78.12 0.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.888 0.375 . . . . 0.0 110.871 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 10.5 p -102.8 -30.86 2.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.011 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -93.76 134.11 36.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -59.34 119.89 8.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.954 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 32.0 p . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.882 -179.954 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.839 0.352 . . . . 0.0 111.157 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.444 ' HA ' ' CE1' ' A' ' 4' ' ' HIS . 0.6 OUTLIER -91.98 72.83 5.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.845 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.7 t -97.66 27.77 4.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.948 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.444 ' CE1' ' HA ' ' A' ' 2' ' ' CYS . 1.3 m80 -90.31 148.13 38.37 Favored Pre-proline 0 N--CA 1.453 -0.309 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.937 -179.815 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -52.09 -44.41 45.98 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.637 2.225 . . . . 0.0 112.273 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 20.7 tm0? -60.4 -31.47 70.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.806 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -80.92 -35.04 32.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.838 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 124.27 54.06 0.19 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.481 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.07 88.46 0.79 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.829 0.347 . . . . 0.0 110.904 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 12.2 p -110.54 -31.17 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.076 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -101.09 132.95 46.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.92 114.94 2.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.004 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 10.9 m . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.949 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 4.9 ptt-85 . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.936 0.398 . . . . 0.0 111.124 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 25.2 t -80.01 89.75 5.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.913 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 13.9 t -97.06 27.43 4.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.807 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 46.9 m170 -79.98 143.8 58.12 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -53.82 -23.98 29.19 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.248 1.965 . . . . 0.0 111.757 179.437 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -76.27 -37.54 57.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.733 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.3 m -71.56 -31.16 66.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.859 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 118.21 43.7 0.55 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.419 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.09 77.65 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.864 0.364 . . . . 0.0 110.982 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 10.8 p -92.57 -31.11 4.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.009 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -99.02 133.5 43.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.808 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -56.42 95.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.968 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 23.9 p . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.934 -179.994 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.846 0.355 . . . . 0.0 111.149 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.446 ' HA ' ' CE1' ' A' ' 4' ' ' HIS . 0.5 OUTLIER -88.97 72.6 8.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.826 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.6 t -97.9 27.61 4.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.011 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.446 ' CE1' ' HA ' ' A' ' 2' ' ' CYS . 1.4 m80 -89.52 149.04 41.67 Favored Pre-proline 0 N--CA 1.453 -0.318 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.949 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_exo -50.94 -48.11 22.47 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.542 2.161 . . . . 0.0 112.358 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -59.12 -30.17 67.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -84.17 -48.18 10.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.682 ' O ' HG23 ' A' ' 10' ' ' VAL . . . 137.22 67.08 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.367 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.22 92.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.858 0.361 . . . . 0.0 111.023 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.682 HG23 ' O ' ' A' ' 8' ' ' GLY . 21.4 t -97.13 -31.17 3.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.059 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -101.85 132.83 47.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -58.71 91.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.977 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 49.3 m . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.853 -179.994 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 13.8 ttm180 . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.812 0.339 . . . . 0.0 111.182 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 2.0 t -87.46 80.1 8.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.962 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.7 t -97.2 29.06 3.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.74 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 45.6 m170 -79.97 139.91 53.68 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.898 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -54.21 -23.56 30.24 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.271 1.981 . . . . 0.0 111.782 179.498 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.9 mp0 -84.15 -35.8 23.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.826 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.95 -48.84 69.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.906 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.662 ' O ' HG23 ' A' ' 10' ' ' VAL . . . 132.88 49.5 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.443 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 1.3 ptp -60.26 86.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.847 0.356 . . . . 0.0 110.878 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 8' ' ' GLY . 21.5 t -90.49 -31.28 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.058 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -106.56 131.65 53.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -59.2 89.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.959 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 7.5 p . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.921 179.977 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 5.0 ptt85 . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.793 0.33 . . . . 0.0 111.181 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.433 ' HA ' ' CE1' ' A' ' 4' ' ' HIS . 0.7 OUTLIER -79.94 72.72 6.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.841 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 24.8 t -97.63 27.79 4.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.433 ' CE1' ' HA ' ' A' ' 2' ' ' CYS . 1.4 m80 -90.32 147.56 37.07 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.974 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -52.64 -41.42 69.02 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.526 2.151 . . . . 0.0 112.255 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -62.13 -31.82 72.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -79.62 -62.57 1.65 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 146.22 61.78 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.495 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 2.6 ptp -67.72 91.22 0.3 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.788 0.328 . . . . 0.0 110.901 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.5 t -86.39 -32.47 6.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -109.01 130.28 55.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.925 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -60.33 86.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.2 p . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 179.951 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.782 0.325 . . . . 0.0 111.221 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.44 ' HA ' ' CE1' ' A' ' 4' ' ' HIS . 0.5 OUTLIER -86.53 75.04 9.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.842 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 30.8 t -96.75 34.29 1.71 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.845 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.44 ' CE1' ' HA ' ' A' ' 2' ' ' CYS . 1.2 m80 -98.36 148.21 34.2 Favored Pre-proline 0 N--CA 1.451 -0.406 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.943 -179.705 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -52.85 -50.04 15.44 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.566 2.177 . . . . 0.0 112.425 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -58.49 -29.67 66.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.052 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -81.78 -64.83 1.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.588 ' O ' HG22 ' A' ' 10' ' ' VAL . . . 168.62 40.63 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.332 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.73 76.73 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.833 0.349 . . . . 0.0 110.903 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.588 HG22 ' O ' ' A' ' 8' ' ' GLY . 0.4 OUTLIER -104.98 -30.87 2.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.061 179.865 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -102.57 132.74 48.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -58.02 109.59 0.77 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.943 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 19.4 p . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.991 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 54.7 ttt180 . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.76 0.314 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 53.0 t -102.82 118.18 36.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.975 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.8 p -111.39 17.46 20.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.04 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 31.8 m170 -80.0 143.83 58.12 Favored Pre-proline 0 N--CA 1.454 -0.254 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.88 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_exo -54.78 -22.86 31.05 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.158 1.905 . . . . 0.0 111.844 179.423 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -66.3 -47.1 74.7 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.877 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 8.2 p -84.61 -43.78 14.11 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.951 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.639 ' O ' HG23 ' A' ' 10' ' ' VAL . . . 149.45 79.69 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.516 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 9.4 ptm -58.89 87.82 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.946 0.403 . . . . 0.0 111.031 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.639 HG23 ' O ' ' A' ' 8' ' ' GLY . 28.5 t -110.16 -32.84 2.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.137 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -106.26 117.12 33.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.26 79.3 0.05 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.991 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.6 p . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 -179.988 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 27.3 ttm180 . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.809 0.338 . . . . 0.0 111.181 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.456 ' HA ' ' CE1' ' A' ' 4' ' ' HIS . 0.5 OUTLIER -88.73 61.4 5.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.803 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 9.7 t -94.92 39.31 1.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.863 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.456 ' CE1' ' HA ' ' A' ' 2' ' ' CYS . 1.4 m80 -103.57 149.63 37.26 Favored Pre-proline 0 N--CA 1.45 -0.455 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.955 -179.584 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_exo -50.65 -44.32 41.09 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.528 2.152 . . . . 0.0 112.271 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -64.19 -23.49 67.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -97.04 23.32 7.4 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.004 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 84.92 -57.34 5.01 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.356 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 3.7 tmm? 43.79 21.39 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.5 HG23 ' HG3' ' A' ' 11' ' ' GLU . 3.7 m -59.05 -29.91 42.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.8 0.333 . . . . 0.0 111.19 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.5 ' HG3' HG23 ' A' ' 10' ' ' VAL . 2.6 mt-10 -93.08 125.09 37.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -60.56 121.26 11.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.903 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 32.0 p . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 179.958 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 23.2 mtt180 . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.811 0.339 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.3 t -91.63 73.23 5.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.6 t -97.3 29.79 3.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.665 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 43.4 m170 -79.99 141.78 55.12 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.853 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -53.39 -24.27 27.09 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.233 1.956 . . . . 0.0 111.625 179.346 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -84.01 -34.24 24.36 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.641 179.64 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -73.53 -54.9 7.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.826 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.641 ' O ' HG23 ' A' ' 10' ' ' VAL . . . 149.48 65.91 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.406 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.43 92.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.803 0.335 . . . . 0.0 110.956 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.641 HG23 ' O ' ' A' ' 8' ' ' GLY . 28.7 t -108.07 -31.03 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.019 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -98.11 133.53 42.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.2 94.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.95 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.8 p . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 179.97 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 4.8 tpt180 . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.785 0.326 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.445 ' HA ' ' CE1' ' A' ' 4' ' ' HIS . 0.5 OUTLIER -87.77 72.79 9.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 10.2 t -97.78 27.82 4.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.012 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.445 ' CE1' ' HA ' ' A' ' 2' ' ' CYS . 1.4 m80 -89.93 148.87 40.66 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.93 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -51.29 -47.31 26.54 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.587 2.192 . . . . 0.0 112.376 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -59.58 -30.19 68.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -83.55 -65.5 1.0 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 164.63 73.06 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.443 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.405 ' O ' ' HG2' ' A' ' 9' ' ' MET . 0.0 OUTLIER -85.84 33.06 0.59 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.788 0.328 . . . . 0.0 111.518 -179.821 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 28.9 t -75.54 -31.02 22.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.838 0.352 . . . . 0.0 111.084 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -97.83 130.5 44.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -60.14 99.71 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 32.1 p . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.993 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 8.6 ttp180 . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.836 0.35 . . . . 0.0 111.223 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.427 ' HA ' ' CE1' ' A' ' 4' ' ' HIS . 0.5 OUTLIER -89.27 72.92 8.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.796 -179.959 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.7 t -97.83 27.91 4.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.97 -179.919 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.427 ' CE1' ' HA ' ' A' ' 2' ' ' CYS . 1.3 m80 -90.28 148.61 39.53 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.93 -179.819 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -51.53 -46.66 30.32 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.595 2.196 . . . . 0.0 112.337 179.967 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -59.63 -30.44 68.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.841 179.931 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -83.18 -31.62 27.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.409 ' O ' HG23 ' A' ' 10' ' ' VAL . . . 120.13 52.1 0.26 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.361 -179.951 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.27 92.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.795 0.331 . . . . 0.0 110.985 -179.914 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.409 HG23 ' O ' ' A' ' 8' ' ' GLY . 21.5 t -79.51 -31.17 13.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.075 179.917 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -113.56 129.91 56.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 179.911 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -58.73 102.13 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.964 -179.98 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 40.2 m . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 180.0 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.81 0.338 . . . . 0.0 111.164 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 30.0 t -82.33 87.88 6.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -96.96 29.99 2.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.737 179.717 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 45.6 m170 -79.97 145.53 61.6 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.872 -179.942 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -53.39 -24.37 27.44 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.27 1.98 . . . . 0.0 111.659 179.372 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -78.07 -36.6 48.06 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.687 179.711 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.3 m -73.87 -31.2 63.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.845 179.976 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 107.99 61.42 0.55 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.255 -179.884 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.15 66.01 0.27 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.833 0.349 . . . . 0.0 111.01 -179.844 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.495 HG23 ' HG2' ' A' ' 11' ' ' GLU . 5.2 m -68.52 -31.52 51.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.973 179.858 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.495 ' HG2' HG23 ' A' ' 10' ' ' VAL . 66.1 mm-40 -100.91 133.9 44.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.683 179.843 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -46.6 122.35 4.12 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.265 -179.883 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.9 m . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.868 -179.877 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.757 0.313 . . . . 0.0 111.192 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.5 t -109.0 72.03 0.8 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.84 -179.98 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -97.2 30.73 2.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.657 179.783 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 42.1 m170 -79.99 143.28 57.14 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.867 -179.892 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -53.66 -24.07 28.35 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.22 1.947 . . . . 0.0 111.617 179.349 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -84.84 -34.41 22.67 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.637 179.671 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -74.0 -48.91 26.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.867 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 135.68 67.07 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.4 -179.982 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.54 71.93 0.21 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.894 0.378 . . . . 0.0 110.98 -179.917 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.414 HG22 ' H ' ' A' ' 10' ' ' VAL . 5.9 m -69.32 -31.28 49.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.138 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -102.45 132.61 48.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.877 179.952 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -57.62 98.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.98 -179.964 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 51.5 m . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 179.968 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 42.3 mtm180 . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.846 0.355 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 21.5 t -115.74 86.54 2.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.96 179.993 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -96.79 27.12 4.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.813 179.705 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 46.8 m170 -79.97 145.45 61.43 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.921 -179.95 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -53.63 -24.08 28.17 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.274 1.982 . . . . 0.0 111.67 179.323 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -74.61 -38.34 62.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.732 179.749 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.3 m -73.64 -30.28 62.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.824 179.98 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 116.32 59.68 0.33 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.369 180.0 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -88.95 70.54 8.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.872 0.367 . . . . 0.0 110.939 -179.964 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 10.7 p -64.55 -30.86 51.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.022 179.887 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -94.27 134.46 36.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.826 179.903 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -54.71 107.82 0.33 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.96 -179.93 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 7.6 m . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.932 -179.975 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.83 0.348 . . . . 0.0 111.168 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.438 ' HA ' ' CE1' ' A' ' 4' ' ' HIS . 0.6 OUTLIER -97.56 72.93 2.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.825 -179.991 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.2 t -97.52 28.23 3.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.949 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.438 ' CE1' ' HA ' ' A' ' 2' ' ' CYS . 1.3 m80 -91.04 148.4 37.89 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.981 -179.777 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -51.99 -45.93 35.59 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.589 2.192 . . . . 0.0 112.342 179.953 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -59.38 -31.15 68.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.86 179.903 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -81.72 -30.9 32.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 179.938 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 125.58 64.28 0.17 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.455 -179.913 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.57 87.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.83 0.348 . . . . 0.0 110.962 -179.877 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.583 ' O ' HG12 ' A' ' 10' ' ' VAL . 15.8 t -134.17 29.86 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.988 179.943 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -150.05 134.16 17.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.806 -179.977 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -71.3 90.15 0.92 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.568 179.924 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 11.0 m . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 -179.974 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.809 0.338 . . . . 0.0 111.172 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.435 ' HA ' ' CE1' ' A' ' 4' ' ' HIS . 0.6 OUTLIER -89.01 72.75 8.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 179.993 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 10.1 t -97.62 27.79 4.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.914 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.435 ' CE1' ' HA ' ' A' ' 2' ' ' CYS . 1.4 m80 -90.31 148.16 38.43 Favored Pre-proline 0 N--CA 1.453 -0.323 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.909 -179.802 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -52.18 -44.31 47.0 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.553 2.168 . . . . 0.0 112.268 179.959 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -60.42 -31.48 70.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 179.942 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -80.77 -31.0 36.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 179.945 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 105.67 64.31 0.64 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.409 -179.973 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 1.2 ptt? -78.44 85.2 4.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.84 0.353 . . . . 0.0 110.993 179.978 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -105.99 28.58 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.105 179.952 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -149.97 133.74 16.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.872 -180.0 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -57.96 89.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.976 179.958 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.2 m . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.972 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 23.0 ttm105 . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.822 0.344 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 9.8 t -80.38 90.92 5.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.912 -179.954 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.9 t -95.29 20.08 9.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.085 179.864 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 44.4 m170 -83.99 142.24 41.47 Favored Pre-proline 0 N--CA 1.453 -0.283 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.924 -179.949 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_exo -54.9 -23.2 33.3 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.297 1.998 . . . . 0.0 111.924 179.527 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 -67.95 -30.42 69.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.931 179.899 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.5 p -106.96 28.47 7.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.996 179.973 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.466 ' O ' HG23 ' A' ' 10' ' ' VAL . . . 56.19 74.12 0.36 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.611 179.926 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -67.0 76.08 0.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.817 0.342 . . . . 0.0 110.881 179.948 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 8' ' ' GLY . 21.4 t -81.59 -29.49 10.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.186 -179.977 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -89.97 115.79 27.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.904 -179.967 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -59.94 121.65 12.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.989 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.9 p . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.977 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 3.0 tmt_? . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.832 0.349 . . . . 0.0 111.17 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.8 t -127.73 83.41 2.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.947 179.987 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.6 t -97.22 29.02 3.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.752 179.77 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 45.8 m170 -79.95 141.17 54.54 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.921 -179.918 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -54.14 -23.65 30.13 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.276 1.984 . . . . 0.0 111.808 179.484 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -81.8 -37.48 27.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.763 179.854 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.2 -30.86 71.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.821 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.576 ' O ' HG23 ' A' ' 10' ' ' VAL . . . 113.69 43.72 0.8 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.427 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.14 83.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.838 0.351 . . . . 0.0 110.919 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 8' ' ' GLY . 21.5 t -85.84 -31.23 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.075 179.957 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -105.94 131.85 52.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.862 179.979 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.76 96.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.943 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 7.4 p . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 179.985 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.799 0.333 . . . . 0.0 111.195 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 48.3 t -80.65 120.25 24.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.916 179.941 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -112.98 20.71 16.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.073 179.829 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 28.0 m170 -85.92 143.63 37.97 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.013 -179.908 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_exo -55.01 -22.49 31.07 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.257 1.972 . . . . 0.0 111.78 179.416 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -65.64 -47.3 76.03 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.02 179.926 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 8.0 p -83.22 -30.21 27.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.985 -179.898 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 125.63 80.98 0.41 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.555 179.907 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -78.24 62.27 2.9 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.933 0.397 . . . . 0.0 110.874 179.918 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.2 p -97.7 -29.03 3.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.171 -179.929 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -89.89 123.69 34.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.938 -179.986 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.78 85.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 179.994 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.9 p . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 -179.996 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 7.5 ttm180 . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 120.851 0.357 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.44 ' HA ' ' CE1' ' A' ' 4' ' ' HIS . 0.5 OUTLIER -89.46 73.02 7.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.832 179.96 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.8 t -97.62 27.91 4.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.959 -179.965 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.44 ' CE1' ' HA ' ' A' ' 2' ' ' CYS . 1.3 m80 -90.54 148.69 39.29 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.942 -179.808 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -51.59 -47.4 26.42 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.592 2.195 . . . . 0.0 112.353 179.964 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -58.93 -30.96 68.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.852 179.96 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -82.39 -31.07 29.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.58 ' O ' HG23 ' A' ' 10' ' ' VAL . . . 125.83 66.02 0.17 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.345 -179.939 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 1.6 ppp? -61.08 85.5 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.845 0.355 . . . . 0.0 111.037 -179.935 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.58 HG23 ' O ' ' A' ' 8' ' ' GLY . 21.5 t -110.32 -31.58 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.999 179.926 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -101.92 133.18 47.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.735 179.942 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.09 110.72 0.51 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.011 -179.955 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.8 m . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 179.998 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.762 0.315 . . . . 0.0 111.188 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 29.1 t -96.85 89.59 4.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 23.3 p -97.33 27.98 3.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.755 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 50.7 m170 -84.46 143.83 42.18 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -53.65 -23.8 27.31 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.216 1.944 . . . . 0.0 111.777 179.384 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -72.49 -36.59 68.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.795 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.6 m -75.63 -30.48 59.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.947 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 114.11 38.09 1.17 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.427 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.57 91.42 0.28 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.828 0.347 . . . . 0.0 110.924 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 15.3 m -57.72 -29.3 34.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.205 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -110.06 131.11 55.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -57.93 122.72 13.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.959 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -58.99 155.51 13.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.904 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.4 ptt180 -69.73 -37.85 76.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 50.7 tttt . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.182 -0.913 . . . . 0.0 110.919 -179.992 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 53.5 mtm-85 . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.839 0.352 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.447 ' HA ' ' CE1' ' A' ' 4' ' ' HIS . 0.5 OUTLIER -91.01 70.47 6.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.805 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 12.1 t -97.7 27.98 4.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.929 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.447 ' CE1' ' HA ' ' A' ' 2' ' ' CYS . 1.4 m80 -90.25 149.23 40.88 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.91 -179.787 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_exo -50.99 -46.78 28.88 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.543 2.162 . . . . 0.0 112.325 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.07 -30.91 68.42 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.695 179.761 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -84.91 -31.52 23.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.773 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 128.94 65.03 0.11 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.43 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.95 87.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.889 0.376 . . . . 0.0 110.865 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.7 p -112.13 -31.65 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.164 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -98.71 132.43 44.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -60.0 119.56 8.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.9 m -130.33 126.62 37.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 12.2 mtt-85 -65.2 143.94 57.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.889 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.209 -0.901 . . . . 0.0 110.881 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.486 1.375 0 CA-C-O 120.878 0.371 . . . . 0.0 111.106 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.445 ' HA ' ' CE1' ' A' ' 4' ' ' HIS . 0.6 OUTLIER -85.02 71.91 10.88 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.827 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -98.1 28.02 4.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.936 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.445 ' CE1' ' HA ' ' A' ' 2' ' ' CYS . 1.6 m80 -90.2 149.11 40.75 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.052 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -51.18 -45.95 33.98 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.576 2.184 . . . . 0.0 112.35 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -59.7 -31.42 69.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.75 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -82.81 -41.31 19.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 129.27 73.13 0.14 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.476 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.77 74.81 1.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.839 0.352 . . . . 0.0 110.866 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 26.0 t -99.34 -31.58 3.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.032 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -97.52 133.79 41.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.843 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.38 92.1 0.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.59 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.2 m -78.25 162.93 26.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.926 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 16.3 mtm180 60.94 79.96 0.23 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.5 tptt . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.891 -179.999 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 9.3 ttp180 . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.852 0.358 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.5 t -106.69 83.12 1.81 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.953 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -97.15 29.31 3.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.709 179.777 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 45.4 m170 -79.96 140.58 54.09 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.887 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -53.96 -23.76 29.27 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.228 1.952 . . . . 0.0 111.763 179.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -82.47 -35.55 27.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.743 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -67.23 -50.68 59.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.836 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 135.07 44.08 0.11 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.469 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -71.97 87.96 1.05 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.824 0.345 . . . . 0.0 110.908 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.402 ' H ' HG22 ' A' ' 10' ' ' VAL . 4.5 m -62.9 -30.9 50.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.196 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -103.83 131.98 50.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.867 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -60.13 121.33 11.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.6 m -94.52 178.67 5.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.43 79.87 0.23 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.1 mttm . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.253 -0.88 . . . . 0.0 110.859 179.983 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 35.4 mtm180 . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.829 0.347 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 22.7 t -88.94 89.72 8.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.962 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -97.26 28.29 3.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.749 179.744 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 46.8 m170 -80.01 143.82 58.06 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -54.06 -23.6 29.38 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.321 2.014 . . . . 0.0 111.752 179.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -77.65 -38.02 48.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.77 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.2 m -69.77 -30.58 68.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.901 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 111.08 51.69 0.59 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.445 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.29 83.74 6.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.823 0.344 . . . . 0.0 110.925 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.5 t -69.9 -29.8 41.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.097 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -89.91 135.12 33.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.892 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -54.99 106.66 0.24 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.017 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.1 m -67.1 140.46 57.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.11 -35.47 77.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 49.7 mttt . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.216 -0.897 . . . . 0.0 110.883 179.957 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.821 0.343 . . . . 0.0 111.202 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.4 t -116.51 48.32 1.29 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 9.1 t -90.99 60.13 4.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.14 179.551 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.409 ' CB ' ' CD ' ' A' ' 5' ' ' PRO . 0.2 OUTLIER -146.15 172.06 5.72 Favored Pre-proline 0 N--CA 1.452 -0.371 0 CA-C-O 121.376 0.607 . . . . 0.0 112.063 -178.792 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.409 ' CD ' ' CB ' ' A' ' 4' ' ' HIS . 68.2 Cg_exo -48.23 -34.96 25.71 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 123.326 2.684 . . . . 0.0 112.491 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -57.61 -31.19 65.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.042 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.3 m -108.39 -30.11 8.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 125.57 72.04 0.2 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.444 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -68.9 71.06 0.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.878 0.37 . . . . 0.0 110.922 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.6 t -126.64 -43.47 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.135 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -90.01 133.55 34.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.849 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -56.11 101.83 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.03 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 12.2 m -64.76 -170.98 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.973 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 28.1 mtm-85 61.1 75.9 0.39 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.9 mmtm . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.207 -0.901 . . . . 0.0 110.924 -179.981 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.793 0.33 . . . . 0.0 111.181 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.8 t -112.84 79.96 1.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.934 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.1 t -97.19 28.58 3.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.768 179.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 45.7 m170 -79.95 139.67 53.66 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.924 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -54.22 -23.52 30.08 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.263 1.976 . . . . 0.0 111.847 179.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -84.07 -36.06 23.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.801 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.41 -31.0 71.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 106.75 49.99 0.87 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.469 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -75.61 63.98 1.62 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.911 0.386 . . . . 0.0 110.896 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.679 HG23 ' OE1' ' A' ' 11' ' ' GLU . 4.4 m -63.6 -30.05 48.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.187 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.679 ' OE1' HG23 ' A' ' 10' ' ' VAL . 3.1 mp0 -101.97 132.87 47.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -58.61 97.35 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.956 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 24.6 p -60.18 145.0 48.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.937 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.8 mmm180 -103.06 112.09 24.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.6 ttmt . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.248 -0.882 . . . . 0.0 110.857 -179.969 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 24.6 mtp180 . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.779 0.323 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.444 ' HA ' ' CE1' ' A' ' 4' ' ' HIS . 0.6 OUTLIER -87.78 72.77 9.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.828 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.7 t -97.85 27.85 4.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.992 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.444 ' CE1' ' HA ' ' A' ' 2' ' ' CYS . 1.4 m80 -90.22 148.24 38.76 Favored Pre-proline 0 N--CA 1.453 -0.31 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.979 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -51.89 -44.53 44.46 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.532 2.154 . . . . 0.0 112.278 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -60.28 -31.43 70.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.784 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -81.46 -45.32 16.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 135.88 61.2 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.468 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.71 80.5 1.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.856 0.36 . . . . 0.0 110.879 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.0 p -110.76 -31.59 2.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.124 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -96.07 133.79 39.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.32 105.67 0.31 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.1 m -85.69 164.52 17.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 26.9 mmt85 -148.72 164.55 34.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.0 mmmt . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.897 179.972 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.823 0.344 . . . . 0.0 111.182 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 23.5 t -79.95 97.69 6.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.97 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 29.9 t -97.14 26.71 4.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.759 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 49.4 m170 -81.11 137.36 49.51 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.943 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_exo -54.73 -23.19 32.09 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.283 1.989 . . . . 0.0 111.959 179.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -79.06 -38.98 35.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.889 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.1 m -60.25 -29.7 68.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.9 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 102.14 38.31 3.13 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.491 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.97 89.89 0.8 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.796 0.332 . . . . 0.0 110.958 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.8 t -76.15 -30.4 20.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.087 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -89.98 134.99 33.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.819 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -55.82 106.52 0.26 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.025 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.6 p -118.75 47.0 1.73 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 28.1 mtm-85 -76.73 -178.24 4.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.886 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 53.8 tttt . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.262 -0.875 . . . . 0.0 110.868 179.987 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.4 tpt180 . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.824 0.345 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.436 ' HA ' ' CE1' ' A' ' 4' ' ' HIS . 0.6 OUTLIER -85.37 73.11 10.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.857 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 22.4 t -98.08 28.03 4.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.979 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.436 ' CE1' ' HA ' ' A' ' 2' ' ' CYS . 1.3 m80 -90.41 148.92 40.01 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.973 -179.784 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -51.36 -47.22 27.07 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.569 2.179 . . . . 0.0 112.268 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.86 -30.59 67.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.794 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -83.59 -38.21 21.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.845 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 128.79 57.35 0.11 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.426 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -66.28 78.12 0.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.888 0.375 . . . . 0.0 110.871 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 10.5 p -102.8 -30.86 2.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.011 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -93.76 134.11 36.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -59.34 119.89 8.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.954 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 32.0 p -125.04 133.53 52.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 6.7 mtt85 -85.23 -31.54 23.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.83 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.193 -0.908 . . . . 0.0 110.923 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.839 0.352 . . . . 0.0 111.157 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.444 ' HA ' ' CE1' ' A' ' 4' ' ' HIS . 0.6 OUTLIER -91.98 72.83 5.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.845 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.7 t -97.66 27.77 4.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.948 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.444 ' CE1' ' HA ' ' A' ' 2' ' ' CYS . 1.3 m80 -90.31 148.13 38.37 Favored Pre-proline 0 N--CA 1.453 -0.309 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.937 -179.815 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -52.09 -44.41 45.98 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.637 2.225 . . . . 0.0 112.273 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 20.7 tm0? -60.4 -31.47 70.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.806 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -80.92 -35.04 32.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.838 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 124.27 54.06 0.19 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.481 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.07 88.46 0.79 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.829 0.347 . . . . 0.0 110.904 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 12.2 p -110.54 -31.17 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.076 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -101.09 132.95 46.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.92 114.94 2.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.004 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 10.9 m -93.55 47.9 1.27 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 36.9 mmt180 -113.18 -36.72 4.96 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.898 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.1 pttp . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.954 179.949 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 4.9 ptt-85 . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.936 0.398 . . . . 0.0 111.124 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 25.2 t -80.01 89.75 5.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.913 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 13.9 t -97.06 27.43 4.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.807 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 46.9 m170 -79.98 143.8 58.12 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -53.82 -23.98 29.19 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.248 1.965 . . . . 0.0 111.757 179.437 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -76.27 -37.54 57.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.733 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.3 m -71.56 -31.16 66.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.859 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 118.21 43.7 0.55 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.419 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.09 77.65 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.864 0.364 . . . . 0.0 110.982 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 10.8 p -92.57 -31.11 4.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.009 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -99.02 133.5 43.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.808 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -56.42 95.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.968 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 23.9 p -70.13 68.29 0.32 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.934 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 28.1 ptt180 44.47 37.24 1.98 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.415 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.3 mtmt . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.186 -0.911 . . . . 0.0 110.837 179.976 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.846 0.355 . . . . 0.0 111.149 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.446 ' HA ' ' CE1' ' A' ' 4' ' ' HIS . 0.5 OUTLIER -88.97 72.6 8.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.826 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.6 t -97.9 27.61 4.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.011 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.446 ' CE1' ' HA ' ' A' ' 2' ' ' CYS . 1.4 m80 -89.52 149.04 41.67 Favored Pre-proline 0 N--CA 1.453 -0.318 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.949 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_exo -50.94 -48.11 22.47 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.542 2.161 . . . . 0.0 112.358 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -59.12 -30.17 67.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -84.17 -48.18 10.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.682 ' O ' HG23 ' A' ' 10' ' ' VAL . . . 137.22 67.08 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.367 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.22 92.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.858 0.361 . . . . 0.0 111.023 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.682 HG23 ' O ' ' A' ' 8' ' ' GLY . 21.4 t -97.13 -31.17 3.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.059 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -101.85 132.83 47.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -58.71 91.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.977 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 49.3 m -98.89 124.17 43.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.853 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.6 ptt180 -156.59 -50.87 0.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.94 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.1 tttt . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.173 -0.918 . . . . 0.0 110.92 180.0 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 13.8 ttm180 . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.812 0.339 . . . . 0.0 111.182 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 2.0 t -87.46 80.1 8.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.962 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.7 t -97.2 29.06 3.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.74 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 45.6 m170 -79.97 139.91 53.68 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.898 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -54.21 -23.56 30.24 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.271 1.981 . . . . 0.0 111.782 179.498 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.9 mp0 -84.15 -35.8 23.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.826 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.95 -48.84 69.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.906 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.662 ' O ' HG23 ' A' ' 10' ' ' VAL . . . 132.88 49.5 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.443 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 1.3 ptp -60.26 86.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.847 0.356 . . . . 0.0 110.878 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 8' ' ' GLY . 21.5 t -90.49 -31.28 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.058 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -106.56 131.65 53.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -59.2 89.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.959 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 7.5 p -60.21 153.82 21.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.921 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.4 mmm-85 -62.29 -74.5 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.7 mptt . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.274 -0.87 . . . . 0.0 110.918 -179.995 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 5.0 ptt85 . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.793 0.33 . . . . 0.0 111.181 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.433 ' HA ' ' CE1' ' A' ' 4' ' ' HIS . 0.7 OUTLIER -79.94 72.72 6.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.841 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 24.8 t -97.63 27.79 4.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.433 ' CE1' ' HA ' ' A' ' 2' ' ' CYS . 1.4 m80 -90.32 147.56 37.07 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.974 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -52.64 -41.42 69.02 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.526 2.151 . . . . 0.0 112.255 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -62.13 -31.82 72.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -79.62 -62.57 1.65 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 146.22 61.78 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.495 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 2.6 ptp -67.72 91.22 0.3 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.788 0.328 . . . . 0.0 110.901 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.5 t -86.39 -32.47 6.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -109.01 130.28 55.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.925 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -60.33 86.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.2 p -62.95 100.65 0.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 28.5 mmm180 -84.21 169.95 14.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.8 mttm . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.917 179.963 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.782 0.325 . . . . 0.0 111.221 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.44 ' HA ' ' CE1' ' A' ' 4' ' ' HIS . 0.5 OUTLIER -86.53 75.04 9.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.842 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 30.8 t -96.75 34.29 1.71 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.845 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.44 ' CE1' ' HA ' ' A' ' 2' ' ' CYS . 1.2 m80 -98.36 148.21 34.2 Favored Pre-proline 0 N--CA 1.451 -0.406 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.943 -179.705 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -52.85 -50.04 15.44 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.566 2.177 . . . . 0.0 112.425 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -58.49 -29.67 66.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.052 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -81.78 -64.83 1.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.588 ' O ' HG22 ' A' ' 10' ' ' VAL . . . 168.62 40.63 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.332 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.73 76.73 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.833 0.349 . . . . 0.0 110.903 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.588 HG22 ' O ' ' A' ' 8' ' ' GLY . 0.4 OUTLIER -104.98 -30.87 2.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.061 179.865 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -102.57 132.74 48.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -58.02 109.59 0.77 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.943 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 19.4 p -93.45 144.79 25.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 6.8 mmt180 -150.14 84.96 1.39 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.272 -0.871 . . . . 0.0 110.873 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 54.7 ttt180 . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.76 0.314 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 53.0 t -102.82 118.18 36.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.975 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.8 p -111.39 17.46 20.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.04 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 31.8 m170 -80.0 143.83 58.12 Favored Pre-proline 0 N--CA 1.454 -0.254 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.88 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_exo -54.78 -22.86 31.05 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.158 1.905 . . . . 0.0 111.844 179.423 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -66.3 -47.1 74.7 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.877 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 8.2 p -84.61 -43.78 14.11 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.951 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.639 ' O ' HG23 ' A' ' 10' ' ' VAL . . . 149.45 79.69 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.516 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 9.4 ptm -58.89 87.82 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.946 0.403 . . . . 0.0 111.031 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.639 HG23 ' O ' ' A' ' 8' ' ' GLY . 28.5 t -110.16 -32.84 2.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.137 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -106.26 117.12 33.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.26 79.3 0.05 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.991 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.6 p -67.56 132.14 46.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.1 mtt-85 -97.89 150.06 21.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.3 mtmp? . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.276 -0.868 . . . . 0.0 110.937 -179.999 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 27.3 ttm180 . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.809 0.338 . . . . 0.0 111.181 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.456 ' HA ' ' CE1' ' A' ' 4' ' ' HIS . 0.5 OUTLIER -88.73 61.4 5.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.803 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 9.7 t -94.92 39.31 1.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.863 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.456 ' CE1' ' HA ' ' A' ' 2' ' ' CYS . 1.4 m80 -103.57 149.63 37.26 Favored Pre-proline 0 N--CA 1.45 -0.455 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.955 -179.584 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_exo -50.65 -44.32 41.09 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.528 2.152 . . . . 0.0 112.271 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -64.19 -23.49 67.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -97.04 23.32 7.4 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.004 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 84.92 -57.34 5.01 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.356 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 3.7 tmm? 43.79 21.39 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.5 HG23 ' HG3' ' A' ' 11' ' ' GLU . 3.7 m -59.05 -29.91 42.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.8 0.333 . . . . 0.0 111.19 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.5 ' HG3' HG23 ' A' ' 10' ' ' VAL . 2.6 mt-10 -93.08 125.09 37.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -60.56 121.26 11.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.903 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 32.0 p -102.12 122.06 43.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 12.7 mmt85 -97.27 -74.33 0.58 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.6 ttmt . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.217 -0.897 . . . . 0.0 110.895 179.987 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 23.2 mtt180 . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.811 0.339 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.3 t -91.63 73.23 5.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.6 t -97.3 29.79 3.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.665 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 43.4 m170 -79.99 141.78 55.12 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.853 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -53.39 -24.27 27.09 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.233 1.956 . . . . 0.0 111.625 179.346 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -84.01 -34.24 24.36 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.641 179.64 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -73.53 -54.9 7.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.826 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.641 ' O ' HG23 ' A' ' 10' ' ' VAL . . . 149.48 65.91 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.406 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.43 92.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.803 0.335 . . . . 0.0 110.956 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.641 HG23 ' O ' ' A' ' 8' ' ' GLY . 28.7 t -108.07 -31.03 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.019 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -98.11 133.53 42.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.2 94.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.95 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.8 p -107.37 47.78 0.87 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -118.23 40.04 3.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.272 -0.871 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 4.8 tpt180 . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.785 0.326 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.445 ' HA ' ' CE1' ' A' ' 4' ' ' HIS . 0.5 OUTLIER -87.77 72.79 9.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 10.2 t -97.78 27.82 4.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.012 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.445 ' CE1' ' HA ' ' A' ' 2' ' ' CYS . 1.4 m80 -89.93 148.87 40.66 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.93 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -51.29 -47.31 26.54 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.587 2.192 . . . . 0.0 112.376 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -59.58 -30.19 68.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -83.55 -65.5 1.0 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 164.63 73.06 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.443 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.405 ' O ' ' HG2' ' A' ' 9' ' ' MET . 0.0 OUTLIER -85.84 33.06 0.59 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.788 0.328 . . . . 0.0 111.518 -179.821 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 28.9 t -75.54 -31.02 22.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.838 0.352 . . . . 0.0 111.084 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -97.83 130.5 44.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -60.14 99.71 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 32.1 p -83.3 156.26 23.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 42.8 ptt85 -63.16 169.18 3.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 28.0 tttp . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.187 -0.911 . . . . 0.0 110.893 179.97 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 8.6 ttp180 . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.836 0.35 . . . . 0.0 111.223 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.427 ' HA ' ' CE1' ' A' ' 4' ' ' HIS . 0.5 OUTLIER -89.27 72.92 8.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.796 -179.959 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.7 t -97.83 27.91 4.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.97 -179.919 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.427 ' CE1' ' HA ' ' A' ' 2' ' ' CYS . 1.3 m80 -90.28 148.61 39.53 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.93 -179.819 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -51.53 -46.66 30.32 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.595 2.196 . . . . 0.0 112.337 179.967 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -59.63 -30.44 68.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.841 179.931 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -83.18 -31.62 27.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.409 ' O ' HG23 ' A' ' 10' ' ' VAL . . . 120.13 52.1 0.26 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.361 -179.951 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.27 92.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.795 0.331 . . . . 0.0 110.985 -179.914 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.409 HG23 ' O ' ' A' ' 8' ' ' GLY . 21.5 t -79.51 -31.17 13.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.075 179.917 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -113.56 129.91 56.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 179.911 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -58.73 102.13 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.964 -179.98 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 40.2 m -88.05 -178.45 5.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -133.91 34.99 3.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.918 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.4 mttt . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.23 -0.891 . . . . 0.0 110.906 179.985 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.81 0.338 . . . . 0.0 111.164 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 30.0 t -82.33 87.88 6.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -96.96 29.99 2.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.737 179.717 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 45.6 m170 -79.97 145.53 61.6 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.872 -179.942 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -53.39 -24.37 27.44 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.27 1.98 . . . . 0.0 111.659 179.372 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -78.07 -36.6 48.06 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.687 179.711 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.3 m -73.87 -31.2 63.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.845 179.976 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 107.99 61.42 0.55 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.255 -179.884 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.15 66.01 0.27 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.833 0.349 . . . . 0.0 111.01 -179.844 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.495 HG23 ' HG2' ' A' ' 11' ' ' GLU . 5.2 m -68.52 -31.52 51.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.973 179.858 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.495 ' HG2' HG23 ' A' ' 10' ' ' VAL . 66.1 mm-40 -100.91 133.9 44.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.683 179.843 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -46.6 122.35 4.12 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.265 -179.883 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.9 m -64.9 122.8 17.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.868 -179.877 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.2 mmm180 -97.13 -71.62 0.67 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 -179.976 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.6 ttpm? . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.22 -0.895 . . . . 0.0 110.885 -179.989 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.757 0.313 . . . . 0.0 111.192 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.5 t -109.0 72.03 0.8 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.84 -179.98 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -97.2 30.73 2.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.657 179.783 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 42.1 m170 -79.99 143.28 57.14 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.867 -179.892 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -53.66 -24.07 28.35 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.22 1.947 . . . . 0.0 111.617 179.349 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -84.84 -34.41 22.67 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.637 179.671 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -74.0 -48.91 26.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.867 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 135.68 67.07 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.4 -179.982 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.54 71.93 0.21 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.894 0.378 . . . . 0.0 110.98 -179.917 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.414 HG22 ' H ' ' A' ' 10' ' ' VAL . 5.9 m -69.32 -31.28 49.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.138 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -102.45 132.61 48.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.877 179.952 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -57.62 98.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.98 -179.964 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 51.5 m -90.78 115.38 27.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 179.968 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 6.5 mmt180 -91.95 -74.53 0.51 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 179.981 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.8 mtpp . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.91 -179.98 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 42.3 mtm180 . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.846 0.355 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 21.5 t -115.74 86.54 2.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.96 179.993 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -96.79 27.12 4.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.813 179.705 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 46.8 m170 -79.97 145.45 61.43 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.921 -179.95 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -53.63 -24.08 28.17 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.274 1.982 . . . . 0.0 111.67 179.323 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -74.61 -38.34 62.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.732 179.749 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.3 m -73.64 -30.28 62.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.824 179.98 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 116.32 59.68 0.33 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.369 180.0 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -88.95 70.54 8.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.872 0.367 . . . . 0.0 110.939 -179.964 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 10.7 p -64.55 -30.86 51.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.022 179.887 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -94.27 134.46 36.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.826 179.903 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -54.71 107.82 0.33 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.96 -179.93 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 7.6 m -68.71 124.41 23.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.932 -179.975 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.1 mmt85 -133.22 -63.57 0.76 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.97 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 54.4 mmtt . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.216 -0.897 . . . . 0.0 110.923 179.986 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.83 0.348 . . . . 0.0 111.168 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.438 ' HA ' ' CE1' ' A' ' 4' ' ' HIS . 0.6 OUTLIER -97.56 72.93 2.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.825 -179.991 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.2 t -97.52 28.23 3.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.949 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.438 ' CE1' ' HA ' ' A' ' 2' ' ' CYS . 1.3 m80 -91.04 148.4 37.89 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.981 -179.777 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -51.99 -45.93 35.59 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.589 2.192 . . . . 0.0 112.342 179.953 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -59.38 -31.15 68.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.86 179.903 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -81.72 -30.9 32.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 179.938 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 125.58 64.28 0.17 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.455 -179.913 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.57 87.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.83 0.348 . . . . 0.0 110.962 -179.877 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.583 ' O ' HG12 ' A' ' 10' ' ' VAL . 15.8 t -134.17 29.86 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.988 179.943 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -150.05 134.16 17.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.806 -179.977 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -71.3 90.15 0.92 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.568 179.924 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 11.0 m -89.07 -171.5 3.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 -179.974 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.3 ptt180 -60.53 -31.28 70.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 -180.0 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.4 tttm . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.879 179.992 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.809 0.338 . . . . 0.0 111.172 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.435 ' HA ' ' CE1' ' A' ' 4' ' ' HIS . 0.6 OUTLIER -89.01 72.75 8.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 179.993 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 10.1 t -97.62 27.79 4.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.914 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.435 ' CE1' ' HA ' ' A' ' 2' ' ' CYS . 1.4 m80 -90.31 148.16 38.43 Favored Pre-proline 0 N--CA 1.453 -0.323 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.909 -179.802 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -52.18 -44.31 47.0 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.553 2.168 . . . . 0.0 112.268 179.959 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -60.42 -31.48 70.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 179.942 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -80.77 -31.0 36.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 179.945 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 105.67 64.31 0.64 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.409 -179.973 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 1.2 ptt? -78.44 85.2 4.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.84 0.353 . . . . 0.0 110.993 179.978 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -105.99 28.58 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.105 179.952 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -149.97 133.74 16.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.872 -180.0 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -57.96 89.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.976 179.958 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.2 m -68.1 123.16 19.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.972 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.5 mtm180 -136.06 -175.31 3.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.216 -0.897 . . . . 0.0 110.898 179.971 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 23.0 ttm105 . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.822 0.344 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 9.8 t -80.38 90.92 5.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.912 -179.954 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.9 t -95.29 20.08 9.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.085 179.864 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 44.4 m170 -83.99 142.24 41.47 Favored Pre-proline 0 N--CA 1.453 -0.283 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.924 -179.949 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_exo -54.9 -23.2 33.3 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.297 1.998 . . . . 0.0 111.924 179.527 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 -67.95 -30.42 69.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.931 179.899 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.5 p -106.96 28.47 7.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.996 179.973 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.466 ' O ' HG23 ' A' ' 10' ' ' VAL . . . 56.19 74.12 0.36 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.611 179.926 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -67.0 76.08 0.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.817 0.342 . . . . 0.0 110.881 179.948 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 8' ' ' GLY . 21.4 t -81.59 -29.49 10.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.186 -179.977 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -89.97 115.79 27.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.904 -179.967 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -59.94 121.65 12.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.989 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.9 p -111.82 116.01 29.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.977 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.9 mtt-85 -80.84 135.34 35.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 179.936 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.243 -0.884 . . . . 0.0 110.897 -179.997 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 3.0 tmt_? . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.832 0.349 . . . . 0.0 111.17 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.8 t -127.73 83.41 2.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.947 179.987 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.6 t -97.22 29.02 3.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.752 179.77 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 45.8 m170 -79.95 141.17 54.54 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.921 -179.918 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -54.14 -23.65 30.13 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.276 1.984 . . . . 0.0 111.808 179.484 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -81.8 -37.48 27.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.763 179.854 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.2 -30.86 71.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.821 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.576 ' O ' HG23 ' A' ' 10' ' ' VAL . . . 113.69 43.72 0.8 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.427 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.14 83.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.838 0.351 . . . . 0.0 110.919 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 8' ' ' GLY . 21.5 t -85.84 -31.23 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.075 179.957 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -105.94 131.85 52.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.862 179.979 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.76 96.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.943 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 7.4 p -60.08 152.02 25.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 179.985 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.6 mtt-85 -60.21 -62.34 1.94 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.912 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.7 mmtt . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.238 -0.887 . . . . 0.0 110.942 179.973 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.799 0.333 . . . . 0.0 111.195 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 48.3 t -80.65 120.25 24.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.916 179.941 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -112.98 20.71 16.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.073 179.829 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 28.0 m170 -85.92 143.63 37.97 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.013 -179.908 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_exo -55.01 -22.49 31.07 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.257 1.972 . . . . 0.0 111.78 179.416 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -65.64 -47.3 76.03 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.02 179.926 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 8.0 p -83.22 -30.21 27.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.985 -179.898 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 125.63 80.98 0.41 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.555 179.907 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -78.24 62.27 2.9 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.933 0.397 . . . . 0.0 110.874 179.918 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.2 p -97.7 -29.03 3.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.171 -179.929 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -89.89 123.69 34.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.938 -179.986 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.78 85.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 179.994 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.9 p -65.35 114.04 4.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 -179.996 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -119.91 115.66 24.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 179.996 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.9 mtpp . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.21 -0.9 . . . . 0.0 110.897 179.961 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 7.5 ttm180 . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 120.851 0.357 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.44 ' HA ' ' CE1' ' A' ' 4' ' ' HIS . 0.5 OUTLIER -89.46 73.02 7.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.832 179.96 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.8 t -97.62 27.91 4.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.959 -179.965 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.44 ' CE1' ' HA ' ' A' ' 2' ' ' CYS . 1.3 m80 -90.54 148.69 39.29 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.942 -179.808 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -51.59 -47.4 26.42 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.592 2.195 . . . . 0.0 112.353 179.964 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -58.93 -30.96 68.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.852 179.96 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -82.39 -31.07 29.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.58 ' O ' HG23 ' A' ' 10' ' ' VAL . . . 125.83 66.02 0.17 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.345 -179.939 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 1.6 ppp? -61.08 85.5 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.845 0.355 . . . . 0.0 111.037 -179.935 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.58 HG23 ' O ' ' A' ' 8' ' ' GLY . 21.5 t -110.32 -31.58 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.999 179.926 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -101.92 133.18 47.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.735 179.942 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.09 110.72 0.51 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.011 -179.955 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.8 m -64.88 96.79 0.2 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 179.998 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.9 mmm180 -62.12 84.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.4 mtpp . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.897 -179.991 . . . . . . . . 0 0 . 1 stop_ save_