data_2env_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 2env _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 ' 73' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.923 0.392 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 48.4 t -48.46 149.01 1.74 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.836 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 23.4 mmm180 -100.29 -24.02 14.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.891 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 72.1 t -75.0 -59.6 3.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.165 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.414 ' SG ' ' N ' ' A' ' 78' ' ' GLY . 20.1 p -101.46 -45.86 5.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.414 ' N ' ' SG ' ' A' ' 77' ' ' CYS . . . 130.82 -39.57 1.77 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.513 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' ' 80' ' ' LYS . 36.6 t0 -45.06 150.47 0.39 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.884 0.374 . . . . 0.0 110.85 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 79' ' ' ASP . 24.3 mtmt -36.16 133.63 0.46 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -92.47 147.18 23.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.088 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 9.2 t -77.36 -30.62 53.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 156.07 -166.12 32.94 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.454 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.556 ' CZ ' ' HA2' ' A' ' 87' ' ' GLY . 3.4 t80 -66.92 118.05 9.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.888 0.375 . . . . 0.0 110.87 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.458 ' CD2' ' HD3' ' A' ' 95' ' ' LYS . 42.7 m-70 -139.8 110.82 6.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.84 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 63.56 31.4 14.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.937 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.556 ' HA2' ' CZ ' ' A' ' 84' ' ' PHE . . . 88.97 -38.45 3.21 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.489 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 8.9 p -98.56 135.91 31.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.875 0.369 . . . . 0.0 111.122 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 49.0 m80 -73.37 91.48 1.74 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -105.49 163.18 12.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.118 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 22.4 p -92.85 173.32 7.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.854 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -56.01 -50.33 71.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -53.25 -70.35 0.95 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.535 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 83.8 m -47.25 -61.94 1.66 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.937 0.399 . . . . 0.0 110.928 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.458 ' HD3' ' CD2' ' A' ' 85' ' ' HIS . 34.6 ttpt -37.67 -56.4 1.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -47.99 -50.51 21.27 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.469 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.482 ' CG ' ' HD3' ' A' ' 129' ' ' ARG . 78.8 t80 -54.67 -56.06 23.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.863 0.363 . . . . 0.0 110.892 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -48.89 -71.51 0.07 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 30.2 ttm180 -41.05 -49.06 3.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 28.7 ttt-85 -53.28 -51.05 63.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.864 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 85.1 m -57.47 -25.98 60.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.107 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 29.8 mm -84.3 -65.34 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.121 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -50.16 -35.08 24.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.866 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 16.2 mtp -90.17 -18.64 25.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 43.7 mttp 57.43 42.72 24.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 26.6 mt -79.58 143.68 34.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.936 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -107.07 167.57 9.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -147.8 154.42 40.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.939 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -79.69 139.91 37.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.436 ' HA ' ' CZ ' ' A' ' 127' ' ' TYR . 35.7 ttpt -58.17 114.67 2.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 43.8 t -93.93 95.37 9.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 114' ' ' SER . 19.6 mp0 -55.75 -45.38 78.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 40.0 mtt-85 -38.56 -30.27 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 112' ' ' GLU . 46.6 m 54.58 50.38 16.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.841 -179.802 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 6.0 m -45.41 169.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.893 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 61.6 tttt -121.18 109.33 14.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.837 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 23.4 mm -63.06 111.89 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -126.08 160.92 28.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.925 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 7.1 pttp -59.65 -55.6 32.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.433 ' HG3' ' N ' ' A' ' 121' ' ' ASN . 0.1 OUTLIER -48.32 -39.86 23.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 179.875 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . 0.433 ' N ' ' HG3' ' A' ' 120' ' ' LYS . 24.3 m-80 -132.73 85.15 2.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . 0.429 ' HB2' ' NH1' ' A' ' 122' ' ' ARG . 20.9 mtm105 -89.27 -51.22 5.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 27.6 t30 -79.71 48.98 0.99 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 32.7 tptt -96.31 -64.65 1.03 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 49.2 t -115.03 144.58 43.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -88.35 -64.4 1.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . 0.529 ' CE2' ' HG3' ' A' ' 131' ' ' GLN . 76.2 t80 -44.4 -64.03 0.77 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.982 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 59.2 m -45.03 -46.42 11.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.911 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . 0.482 ' HD3' ' CG ' ' A' ' 97' ' ' PHE . 16.8 ttm180 -53.42 -59.36 4.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -56.96 -39.18 74.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.82 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . 0.529 ' HG3' ' CE2' ' A' ' 127' ' ' TYR . 14.1 mm-40 -61.05 -55.08 36.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.922 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 58.1 tttt -45.31 -43.23 10.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.896 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 57.8 m -57.18 -46.98 82.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.903 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 29.5 mt -64.76 -45.84 84.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -54.88 -43.39 73.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.076 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 34.0 mt -63.03 -29.66 70.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 109.48 41.36 1.37 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.475 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 2.9 mtt -75.39 116.14 15.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.8 0.333 . . . . 0.0 110.878 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 1.6 t -65.91 117.23 8.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 22.0 p-80 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.859 179.999 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.865 0.364 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 19.6 t -45.11 149.39 0.48 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.88 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 38.0 mmt-85 -99.82 -29.46 12.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 59.2 t -68.45 -50.69 54.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.097 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 30.6 p -104.21 -46.83 4.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.825 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 122.98 -33.52 4.03 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.506 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -49.45 173.18 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.943 0.401 . . . . 0.0 110.836 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 5.9 ttmt -66.86 112.32 4.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.89 176.1 0.33 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.126 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 53.3 p -123.42 -41.71 2.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.811 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -149.52 170.82 29.71 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.449 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.493 ' CE2' ' HA2' ' A' ' 87' ' ' GLY . 9.8 t80 -99.88 89.12 3.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.929 0.395 . . . . 0.0 110.912 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 24.9 m-70 -105.94 143.8 33.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.848 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 60.45 26.51 16.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.896 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.493 ' HA2' ' CE2' ' A' ' 84' ' ' PHE . . . 63.18 22.29 64.96 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.463 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.438 ' CG1' ' HE1' ' A' ' 138' ' ' MET . 12.0 p -139.05 125.57 24.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.827 0.346 . . . . 0.0 111.174 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 35.0 m80 -56.64 96.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.89 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -122.01 156.77 32.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.065 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 17.9 p -96.8 156.36 16.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.467 ' HG3' ' N ' ' A' ' 93' ' ' GLY . 11.6 pt-20 -41.85 -44.84 3.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.467 ' N ' ' HG3' ' A' ' 92' ' ' GLU . . . -55.93 -72.54 0.55 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.538 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . 0.436 ' O ' ' C ' ' A' ' 95' ' ' LYS . 67.4 m -52.9 -56.35 16.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.863 0.363 . . . . 0.0 110.846 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 94' ' ' CYS . 0.7 OUTLIER -35.42 -51.73 0.61 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -61.12 -48.06 87.88 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.491 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -44.77 -65.9 0.47 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.926 0.393 . . . . 0.0 110.899 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -41.0 -66.24 0.35 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.839 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 23.9 ttm180 -46.23 -60.48 2.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.841 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 41.3 ttm-85 -39.91 -51.57 2.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.466 ' O ' ' N ' ' A' ' 105' ' ' LYS . 38.9 m -56.8 -39.19 73.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.164 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 21.6 mm -71.43 -58.5 5.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.132 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 2.6 ptp180 -57.6 -30.22 65.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.864 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 39.3 mtp -104.05 0.86 30.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.466 ' N ' ' O ' ' A' ' 101' ' ' THR . 0.1 OUTLIER 41.65 35.12 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.92 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 22.6 mt -57.61 126.68 28.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.926 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -99.09 134.73 41.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -115.91 168.94 9.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.919 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -89.98 130.13 36.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.89 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.497 ' HA ' ' CE2' ' A' ' 127' ' ' TYR . 28.1 tttp -48.69 124.17 7.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.879 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 30.0 t -117.88 98.36 6.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.446 ' O ' ' C ' ' A' ' 113' ' ' ARG . 9.8 mt-10 -64.68 -42.04 95.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.446 ' C ' ' O ' ' A' ' 112' ' ' GLU . 86.8 mtm-85 -34.58 -43.04 0.16 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 115' ' ' CYS . 7.6 t 72.8 39.77 0.64 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 -179.793 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' CYS . . . . . 0.411 ' C ' ' O ' ' A' ' 114' ' ' SER . 7.2 m -37.04 149.01 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.849 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 1.3 mmmm -103.31 110.84 22.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 9.9 mm -64.15 107.57 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.089 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 21.4 mm-40 -110.99 165.98 11.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.954 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 26.1 ttpp -60.64 -50.14 74.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 32.8 mmtm -58.74 -50.25 74.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 -117.46 80.08 1.44 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 30.4 ptt180 -88.74 -41.38 12.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 43.9 m-20 -88.89 39.84 0.95 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 44.7 tptt -82.26 -65.88 0.96 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 20.4 t -112.49 131.94 55.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -77.83 -54.91 5.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.921 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . 0.497 ' CE2' ' HA ' ' A' ' 110' ' ' LYS . 38.0 t80 -50.3 -65.6 0.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 59.2 m -46.51 -48.82 19.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.915 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 53.0 ttt180 -46.11 -44.46 15.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.439 ' CD2' HG23 ' A' ' 101' ' ' THR . 23.9 t80 -71.49 -52.31 19.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 21.1 mm100 -46.2 -52.21 12.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.935 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 32.1 tttp -44.75 -50.64 9.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 99.5 m -48.83 -54.54 14.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.896 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 93.4 mt -49.1 -52.42 26.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -57.67 -41.96 82.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.149 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 75.8 mt -58.32 -27.6 64.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 107.37 29.44 4.49 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.477 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' MET . . . . . 0.438 ' HE1' ' CG1' ' A' ' 88' ' ' VAL . 9.3 mtt -75.65 116.52 16.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.793 0.33 . . . . 0.0 110.867 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 17.7 m -73.56 106.08 5.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 35.6 p-80 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.847 179.951 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 74' ' ' CYS . 6.2 pt-20 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.867 0.365 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . 0.404 ' C ' ' O ' ' A' ' 73' ' ' GLU . 22.7 t -37.99 145.3 0.07 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.889 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 38.5 mmm-85 -96.55 -13.78 22.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 93.6 t -86.06 -56.71 5.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.114 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 31.5 p -96.89 -43.59 7.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 120.3 -30.03 5.74 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.502 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -51.19 174.73 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.92 0.39 . . . . 0.0 110.847 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 10.3 ttpt -69.19 110.75 4.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -54.98 178.6 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.08 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.9 m -119.58 -33.11 4.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.874 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -166.5 -151.22 6.7 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.483 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.479 ' CZ ' ' HA2' ' A' ' 87' ' ' GLY . 2.2 t80 -122.44 119.37 30.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.889 0.376 . . . . 0.0 110.866 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 33.5 m-70 -145.87 150.29 35.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.818 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 53.9 35.48 21.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.479 ' HA2' ' CZ ' ' A' ' 84' ' ' PHE . . . 58.05 12.56 11.74 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.449 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 11.0 p -137.62 131.99 44.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.902 0.382 . . . . 0.0 111.084 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 46.6 m80 -64.83 96.53 0.19 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.836 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -115.83 158.0 23.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.093 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 15.5 p -94.8 161.65 14.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.838 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -47.34 -57.37 5.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.9 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -45.63 -72.6 0.36 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.447 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . 0.413 ' O ' ' C ' ' A' ' 95' ' ' LYS . 92.7 m -45.06 -52.67 8.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.872 0.367 . . . . 0.0 110.87 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 94' ' ' CYS . 40.6 tttm -36.75 -57.76 0.78 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -54.45 -46.27 73.53 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.497 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -51.97 -67.73 0.23 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.871 0.367 . . . . 0.0 110.867 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.429 ' CZ ' ' HB3' ' A' ' 138' ' ' MET . 69.6 t80 -43.27 -66.59 0.36 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 66.7 ttt-85 -44.06 -61.64 1.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 17.8 ttp180 -46.16 -49.29 17.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 61.1 m -55.79 -27.81 52.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.123 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 47.4 mm -82.37 -61.2 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.164 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.439 ' HD3' ' CG ' ' A' ' 104' ' ' MET . 0.4 OUTLIER -56.54 -23.63 41.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 179.94 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' MET . . . . . 0.439 ' CG ' ' HD3' ' A' ' 103' ' ' ARG . 13.1 mtp -97.89 -5.05 35.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 40.37 37.9 0.49 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.905 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.411 ' HG ' ' CB ' ' A' ' 104' ' ' MET . 11.3 mt -67.42 134.77 52.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 55.4 tt0 -95.3 147.91 22.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -128.33 168.63 15.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.877 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -96.13 137.55 35.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.937 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 44.4 tttm -56.46 123.59 15.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 38.2 t -115.43 99.93 7.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.899 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -66.11 -37.56 86.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 73.8 mtt180 -45.05 -24.0 0.2 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.856 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 115' ' ' CYS . 54.1 m 48.38 45.3 20.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.753 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' CYS . . . . . 0.402 ' C ' ' O ' ' A' ' 114' ' ' SER . 8.5 m -37.51 154.05 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.862 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 24.2 tttp -100.83 113.47 26.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.915 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 9.7 mm -71.01 95.15 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.082 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -97.58 161.14 13.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 13.7 ptpt -62.22 -33.66 75.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 9.6 ptmt -90.27 -26.77 19.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.944 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . 0.418 ' ND2' ' HD2' ' A' ' 124' ' ' LYS . 10.5 m120 -118.99 53.35 1.01 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . 0.421 ' HG3' ' N ' ' A' ' 123' ' ' ASN . 36.1 ptt180 -85.37 -43.15 13.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . 0.421 ' N ' ' HG3' ' A' ' 122' ' ' ARG . 23.2 m120 -83.88 53.44 2.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.905 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . 0.418 ' HD2' ' ND2' ' A' ' 121' ' ' ASN . 16.5 mtpt -113.11 -64.12 1.35 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.93 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 48.3 t -112.39 136.41 51.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -82.52 -59.72 2.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.967 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -44.88 -70.3 0.11 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 82.2 m -41.27 -38.9 1.24 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.925 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 23.7 ttt85 -55.91 -54.84 39.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.871 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.454 ' CE2' HD13 ' A' ' 134' ' ' LEU . 52.3 t80 -63.45 -50.16 70.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -47.59 -52.31 18.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 17.9 tttp -47.13 -45.08 22.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 81.6 m -55.89 -54.25 46.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . 0.454 HD13 ' CE2' ' A' ' 130' ' ' PHE . 69.0 mt -56.2 -45.26 79.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -58.89 -42.91 90.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.071 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 76.6 mt -58.17 -29.51 65.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 114.02 26.84 3.66 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.505 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' MET . . . . . 0.429 ' HB3' ' CZ ' ' A' ' 98' ' ' PHE . 5.2 mtt -69.07 126.16 28.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.748 0.308 . . . . 0.0 110.93 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 12.5 t -93.18 123.74 36.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.877 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 41.0 p-80 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 179.959 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.892 0.377 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 45.5 t -46.13 148.74 0.8 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -97.56 -29.18 13.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.922 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.457 HG22 ' CD1' ' A' ' 136' ' ' LEU . 69.0 t -70.85 -63.4 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.117 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.418 ' SG ' ' N ' ' A' ' 78' ' ' GLY . 18.6 p -93.78 -45.42 7.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.842 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.418 ' N ' ' SG ' ' A' ' 77' ' ' CYS . . . 125.32 -40.3 1.9 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.511 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.446 ' O ' ' C ' ' A' ' 80' ' ' LYS . 21.4 t70 -41.95 154.3 0.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.838 0.351 . . . . 0.0 110.899 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 79' ' ' ASP . 0.6 OUTLIER -34.0 143.06 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -92.87 143.05 26.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.133 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 32.2 t -86.35 -56.9 3.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.913 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -150.48 -149.23 4.97 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.505 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.472 ' CE2' ' HA2' ' A' ' 87' ' ' GLY . 21.1 t80 -123.28 93.32 3.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.921 0.391 . . . . 0.0 110.881 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 50.6 m-70 -114.81 144.4 43.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.895 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 57.18 30.05 17.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.946 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.472 ' HA2' ' CE2' ' A' ' 84' ' ' PHE . . . 62.64 17.4 57.41 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.49 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 4.3 p -139.47 136.12 40.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.887 0.375 . . . . 0.0 111.138 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 32.4 m80 -68.54 97.5 0.78 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -119.12 158.69 25.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.084 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . 0.446 ' O ' ' CB ' ' A' ' 95' ' ' LYS . 20.2 p -95.14 176.42 6.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.879 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 26.8 mp0 -57.0 -50.49 72.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -53.41 -70.46 0.92 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.479 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 57.1 m -53.91 -43.42 69.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.935 0.397 . . . . 0.0 110.881 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.446 ' CB ' ' O ' ' A' ' 91' ' ' CYS . 58.1 tttt -44.7 -47.96 10.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.932 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -72.87 -47.39 25.64 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.44 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.494 ' CE2' ' HG2' ' A' ' 129' ' ' ARG . 24.2 t80 -42.81 -57.78 2.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.913 0.387 . . . . 0.0 110.881 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 79.6 t80 -52.53 -61.65 2.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 54.9 ttt180 -47.66 -62.19 1.57 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.866 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 24.6 ttt180 -44.11 -52.16 7.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.837 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 62.9 m -53.31 -31.53 44.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.102 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 25.6 mm -80.09 -64.27 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.158 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -52.64 -25.62 11.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.887 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 4.3 mtp -94.31 -23.83 17.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.868 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 18.5 mmmt 62.01 38.33 14.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 15.3 mt -78.85 140.15 38.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -123.92 151.25 43.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -126.76 178.7 5.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.968 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.77 147.23 23.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.89 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 19.9 tttm -57.75 121.98 11.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.935 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 47.1 t -102.99 104.23 14.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.847 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -66.96 -43.08 84.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 50.7 mtp180 -43.01 -28.34 0.26 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.858 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 46.1 m 52.8 48.12 23.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' CYS . . . . . 0.441 ' N ' ' SG ' ' A' ' 128' ' ' CYS . 5.6 m -40.57 146.27 0.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.868 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 48.2 mtpt -97.43 108.83 21.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 29.1 mm -64.26 90.02 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.106 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -104.0 148.79 25.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 10.3 ptpt -47.46 -46.37 26.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 13.7 ptpt -53.13 -50.06 65.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -128.57 79.14 1.89 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 27.6 ptt-85 -88.22 -31.13 19.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -94.99 45.33 1.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 8.3 tmtm? -95.18 -62.38 1.32 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 46.7 t -114.62 149.06 37.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.859 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -88.49 -65.92 0.97 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -39.86 -59.41 1.19 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . 0.441 ' SG ' ' N ' ' A' ' 115' ' ' CYS . 67.9 m -50.23 -42.67 52.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.841 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . 0.494 ' HG2' ' CE2' ' A' ' 97' ' ' PHE . 6.6 ttp180 -56.65 -63.38 1.22 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -51.43 -51.3 56.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -45.71 -53.46 9.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.934 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 48.2 tttt -46.08 -48.81 17.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 89.4 m -51.99 -53.2 44.45 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.876 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 92.6 mt -50.19 -50.47 49.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.937 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.01 -37.1 85.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.091 179.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.457 ' CD1' HG22 ' A' ' 76' ' ' VAL . 78.7 mt -59.39 -27.18 65.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.898 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 107.11 21.07 8.28 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.506 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 9.6 mtt -68.89 110.0 4.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.814 0.34 . . . . 0.0 110.87 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 15.9 m -82.98 132.95 35.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 179.936 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.906 0.384 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 47.6 t -47.25 126.89 10.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.928 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 10.9 mmt85 -85.76 26.59 0.95 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 98.9 t -128.64 -43.42 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.122 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.404 ' SG ' ' N ' ' A' ' 78' ' ' GLY . 22.2 p -120.24 -46.44 2.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.404 ' N ' ' SG ' ' A' ' 77' ' ' CYS . . . 134.43 -37.06 2.0 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.481 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -51.4 157.35 1.03 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.887 0.375 . . . . 0.0 110.837 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 23.3 tttt -40.09 133.05 1.78 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.451 ' O ' ' C ' ' A' ' 82' ' ' SER . . . -87.71 101.66 13.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.076 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 81' ' ' ALA . 10.6 t -34.26 -54.38 0.51 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 173.21 -146.21 8.83 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.438 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.563 ' CZ ' ' HA2' ' A' ' 87' ' ' GLY . 91.5 t80 -85.28 123.48 30.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.915 0.388 . . . . 0.0 110.883 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 22.2 m-70 -152.7 131.76 12.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 54.01 25.56 5.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.909 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.563 ' HA2' ' CZ ' ' A' ' 84' ' ' PHE . . . 83.88 -22.23 8.35 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.468 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.411 ' CG1' ' HG2' ' A' ' 138' ' ' MET . 11.6 p -108.19 133.9 51.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.844 0.354 . . . . 0.0 111.157 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 33.0 m80 -72.18 85.41 1.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -107.48 173.27 6.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.121 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 20.3 p -99.09 155.82 17.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -49.4 -27.4 4.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.926 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -72.45 -36.46 59.13 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.519 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 68.3 m -85.54 -35.72 20.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.877 0.37 . . . . 0.0 110.857 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -49.63 -46.62 49.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -61.83 -52.61 49.29 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.511 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -42.0 -67.22 0.28 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.922 0.391 . . . . 0.0 110.877 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -38.51 -68.94 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.899 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 14.6 ttt85 -41.17 -65.28 0.45 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.841 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 58.4 ttt180 -39.54 -52.75 2.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.454 ' O ' ' N ' ' A' ' 105' ' ' LYS . 27.5 m -51.24 -45.23 61.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.122 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 25.1 mm -67.09 -64.71 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 2.0 ptp180 -49.93 -29.05 7.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.847 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 14.5 mtp -96.32 -15.37 21.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 101' ' ' THR . 23.7 mmmt 50.63 42.8 27.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.884 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 33.7 mt -70.51 118.01 12.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -92.26 133.57 35.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -118.94 172.08 7.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.949 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.42 ' HG2' ' N ' ' A' ' 110' ' ' LYS . 22.4 tt0 -95.3 146.83 24.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.42 ' N ' ' HG2' ' A' ' 109' ' ' GLU . 11.5 tppt? -59.65 125.92 25.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.857 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 48.5 t -112.7 100.65 8.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -67.75 -30.43 69.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 21.8 mmt180 -51.09 -20.34 1.42 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.893 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 115' ' ' CYS . 1.8 m 46.3 47.2 13.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.847 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' CYS . . . . . 0.418 ' C ' ' O ' ' A' ' 114' ' ' SER . 14.5 m -37.12 152.78 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.904 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 7.5 mtpm? -99.49 101.82 13.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 39.5 mm -65.91 109.73 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.158 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -119.68 166.51 13.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 12.3 ptpt -69.63 -20.79 63.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.869 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 10.3 tppt? -77.94 -42.69 32.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.918 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -133.99 66.41 1.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.881 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 21.2 ptt180 -76.37 -22.7 54.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 -100.38 47.8 0.93 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.853 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 6.0 tptm -100.52 -57.33 2.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 30.8 t -117.19 143.67 45.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -86.55 -59.99 2.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 49.8 t80 -45.82 -71.14 0.08 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 93.4 m -39.58 -51.86 2.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.867 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 53.2 ttt180 -47.58 -49.72 25.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -69.6 -41.8 75.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -56.27 -59.36 5.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.936 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 24.9 tttp -40.71 -49.53 3.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.863 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 37.8 m -53.14 -51.53 61.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.873 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 25.9 mt -53.99 -56.19 20.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.956 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -49.69 -36.88 26.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.039 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 84.1 mt -68.3 -25.06 64.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.943 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . 0.443 ' O ' ' C ' ' A' ' 138' ' ' MET . . . 121.08 -12.68 9.77 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.457 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' MET . . . . . 0.443 ' C ' ' O ' ' A' ' 137' ' ' GLY . 2.4 mmt -34.16 126.88 0.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.786 0.327 . . . . 0.0 110.884 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 78.5 p -114.61 129.49 56.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.85 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.898 0.38 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . 0.429 ' SG ' ' HB ' ' A' ' 76' ' ' VAL . 42.9 t -65.0 116.69 6.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -58.05 -27.08 63.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.429 ' HB ' ' SG ' ' A' ' 74' ' ' CYS . 15.6 t -69.19 -71.56 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.098 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 31.8 p -96.6 -47.81 5.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 131.91 -36.41 2.22 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.515 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -39.75 158.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.907 0.384 . . . . 0.0 110.839 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 18.5 mttm -42.32 126.11 3.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -77.5 111.84 13.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.126 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 39.0 t -54.72 -55.45 29.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.796 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -158.33 -138.75 2.55 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.457 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -124.93 91.79 3.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.884 0.374 . . . . 0.0 110.857 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 45.7 m-70 -106.32 141.3 37.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.854 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 42.1 m-85 54.77 41.96 31.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.905 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 54.84 21.45 23.13 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.488 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.407 HG21 ' N ' ' A' ' 89' ' ' HIS . 6.6 p -140.54 136.3 35.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.851 0.358 . . . . 0.0 111.092 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.407 ' N ' HG21 ' A' ' 88' ' ' VAL . 38.9 m80 -70.93 87.78 0.73 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.826 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -116.62 171.6 7.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.143 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 16.4 p -104.04 172.37 6.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.869 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -61.6 -50.83 71.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -46.86 -47.59 19.03 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.509 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 99.8 m -74.81 -49.79 19.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.908 0.385 . . . . 0.0 110.869 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 21.1 tttp -42.85 -60.31 1.64 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -53.86 -40.96 66.12 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.489 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -59.75 -55.57 32.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.834 0.349 . . . . 0.0 110.875 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -51.3 -54.87 21.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 15.7 ttm180 -56.97 -58.53 7.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.852 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 14.4 ttt180 -42.58 -48.49 5.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.439 ' O ' ' N ' ' A' ' 105' ' ' LYS . 47.3 m -57.1 -42.82 81.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.157 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 48.0 mm -66.65 -63.91 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.112 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 29.1 ptt85 -51.01 -40.42 58.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.81 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 62.8 mtp -84.82 -15.98 42.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.876 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 101' ' ' THR . 15.6 mmtp 53.59 47.34 24.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 24.7 mt -77.48 123.8 27.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -93.82 136.63 33.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.873 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -117.36 158.46 24.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.955 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -85.04 119.34 25.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.909 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.554 ' HA ' ' CE2' ' A' ' 127' ' ' TYR . 2.4 tmmm? -40.24 117.98 0.85 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.879 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 45.9 t -102.27 93.53 5.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 113' ' ' ARG . 39.3 mt-10 -53.58 -46.58 70.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.862 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 112' ' ' GLU . 65.1 mmt-85 -35.07 -40.45 0.12 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.855 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 9.1 t 66.26 45.03 2.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.873 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 9.0 m -37.9 146.51 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.855 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 60.7 mmtt -91.33 109.19 20.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 38.0 mm -66.55 109.17 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.142 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -118.55 161.65 19.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.437 ' HG3' ' N ' ' A' ' 120' ' ' LYS . 12.7 ptmm? -67.8 -42.72 81.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.437 ' N ' ' HG3' ' A' ' 119' ' ' LYS . 0.0 OUTLIER -54.97 -48.32 73.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.932 179.843 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 67.8 m-20 -131.11 81.44 1.99 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.9 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 28.7 ptt180 -87.72 -31.01 19.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -85.22 47.28 1.39 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.906 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 19.1 ttpp -99.96 -62.22 1.27 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 10.9 t -116.89 142.77 46.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.897 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 16.7 mp0 -88.06 -54.51 4.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.933 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . 0.554 ' CE2' ' HA ' ' A' ' 110' ' ' LYS . 64.5 t80 -52.67 -58.03 8.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.915 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 65.7 m -51.35 -48.69 62.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.894 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 6.7 tpp85 -53.19 -54.45 35.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -61.59 -58.51 7.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.884 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . 0.505 ' HG3' ' CE1' ' A' ' 127' ' ' TYR . 7.3 mm100 -41.45 -47.55 3.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.935 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 25.1 tttp -49.96 -54.86 17.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.879 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 92.1 m -45.12 -48.88 12.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 66.1 mt -54.34 -49.36 69.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.02 -35.84 81.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.107 179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 89.3 mt -61.64 -26.56 68.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 107.76 29.68 4.3 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.499 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 3.7 mtt -75.14 105.31 6.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.758 0.314 . . . . 0.0 110.902 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 55.3 p -68.94 115.9 8.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.858 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 23.8 p-80 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 179.964 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.898 0.38 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . 0.511 ' O ' ' N ' ' A' ' 78' ' ' GLY . 41.7 t -64.72 110.47 2.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 39.3 mmt-85 -50.67 -33.88 24.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.926 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 10.8 t -62.6 -71.5 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.133 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 24.3 p -97.36 -45.88 6.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.854 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.511 ' N ' ' O ' ' A' ' 74' ' ' CYS . . . 128.48 -36.19 2.52 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.483 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.428 ' O ' ' C ' ' A' ' 80' ' ' LYS . 13.0 t0 -42.0 157.75 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.902 0.382 . . . . 0.0 110.834 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 79' ' ' ASP . 21.8 pttt -35.72 132.35 0.47 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.8 98.21 10.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.103 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 11.9 t -42.35 -50.81 5.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -167.03 -154.68 8.58 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.437 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -109.66 90.91 3.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.921 0.391 . . . . 0.0 110.911 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 68.2 m-70 -107.0 139.11 41.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 58.21 37.39 26.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.945 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 59.42 20.19 50.22 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.499 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 3.2 p -140.75 138.76 35.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.891 0.377 . . . . 0.0 111.079 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 8.2 m80 -71.84 90.73 1.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -116.58 171.52 7.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 18.9 p -102.65 170.25 8.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.878 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -58.78 -49.4 77.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -49.87 -72.39 0.49 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.519 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . 0.419 ' O ' ' C ' ' A' ' 95' ' ' LYS . 89.3 m -41.52 -55.45 2.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.897 0.379 . . . . 0.0 110.919 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 94' ' ' CYS . 12.3 ttmm -36.8 -51.07 0.88 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.924 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -55.83 -46.93 81.99 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.513 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.542 ' CE2' ' HG2' ' A' ' 129' ' ' ARG . 68.6 t80 -60.36 -55.68 30.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.859 0.361 . . . . 0.0 110.88 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.484 ' CZ ' ' HB3' ' A' ' 138' ' ' MET . 74.1 t80 -52.37 -61.16 2.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 28.9 ttm180 -52.46 -53.09 50.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 21.1 ttm180 -46.82 -47.78 21.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 27.8 m -61.04 -37.28 82.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.13 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 13.0 mm -72.46 -63.16 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.111 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 23.5 ptt180 -51.91 -38.5 56.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.938 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 41.5 mtp -88.03 -10.89 48.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.868 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 36.5 mtpt 49.57 49.22 20.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.936 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 47.8 mt -84.69 169.0 14.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -144.85 159.43 42.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.457 ' CD1' ' HB3' ' A' ' 126' ' ' GLN . 55.8 m-85 -140.12 170.71 15.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.931 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -77.84 135.61 37.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.916 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.491 ' HA ' ' CZ ' ' A' ' 127' ' ' TYR . 24.6 ttmt -55.1 137.72 45.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 49.0 t -125.05 112.13 16.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -75.69 -37.47 59.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 58.2 mtp85 -43.65 -25.02 0.14 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.869 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 115' ' ' CYS . 7.6 m 51.92 45.4 28.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.83 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' CYS . . . . . 0.409 ' C ' ' O ' ' A' ' 114' ' ' SER . 10.7 m -37.49 152.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 27.7 mttm -97.8 108.49 21.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 30.6 mm -70.21 109.55 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.152 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 65.0 mt-30 -123.47 161.16 25.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.9 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 16.2 ttpp -38.77 -50.96 1.71 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 35.9 mmtt -80.6 -47.93 13.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.921 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -82.86 44.54 0.93 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 32.1 ttp180 -83.12 -50.69 8.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.86 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -90.99 39.43 0.99 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 29.8 tttm -91.3 -56.98 2.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 33.5 t -117.07 145.47 43.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.877 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . 0.457 ' HB3' ' CD1' ' A' ' 108' ' ' TYR . 50.7 mt-30 -87.36 -52.38 5.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . 0.491 ' CZ ' ' HA ' ' A' ' 110' ' ' LYS . 13.6 t80 -58.13 -65.98 0.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 80.2 m -41.15 -42.71 2.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.912 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . 0.542 ' HG2' ' CE2' ' A' ' 97' ' ' PHE . 19.4 ttt180 -55.9 -47.73 76.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.912 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -72.05 -44.54 63.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . 0.42 ' CG ' ' CE2' ' A' ' 127' ' ' TYR . 17.4 mm100 -55.05 -52.95 61.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.877 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 59.5 tttt -46.67 -60.62 2.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 34.2 m -42.32 -56.6 2.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 23.5 mt -56.54 -49.76 73.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -52.53 -36.66 55.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.114 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 81.0 mt -67.75 -24.06 65.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.97 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 104.89 28.64 5.54 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.47 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' MET . . . . . 0.484 ' HB3' ' CZ ' ' A' ' 98' ' ' PHE . 9.2 mtt -69.94 107.41 3.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.812 0.339 . . . . 0.0 110.851 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 14.9 m -76.44 133.0 39.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.88 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 4.9 p80 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.846 179.964 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 26.3 pm0 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.908 0.385 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 48.7 t -46.96 136.63 8.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.844 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 30.6 mmt180 -92.6 -16.95 25.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.846 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 45.2 t -79.21 -56.64 6.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.096 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.418 ' SG ' ' N ' ' A' ' 78' ' ' GLY . 16.1 p -106.19 -44.78 4.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.418 ' N ' ' SG ' ' A' ' 77' ' ' CYS . . . 132.55 -44.74 1.18 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.471 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 80' ' ' LYS . 29.5 t70 -41.66 149.49 0.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.891 0.377 . . . . 0.0 110.863 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 79' ' ' ASP . 7.8 ttpp -34.45 135.2 0.18 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -87.96 104.15 16.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.087 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 13.4 t -42.95 -47.96 5.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -165.99 -161.3 14.73 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.531 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -105.89 94.59 5.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.916 0.389 . . . . 0.0 110.808 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 35.1 m-70 -110.83 145.1 38.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.843 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 55.52 30.93 16.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 61.95 16.2 51.64 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.532 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.401 ' CG1' ' HE2' ' A' ' 138' ' ' MET . 7.9 p -137.25 131.09 44.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.877 0.37 . . . . 0.0 111.116 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 12.7 m80 -59.93 97.81 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.863 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -128.27 156.39 43.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.092 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 19.9 p -93.15 173.5 7.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -60.51 -52.11 66.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.884 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -47.9 -68.9 1.06 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.471 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 98.8 m -44.38 -49.54 9.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.882 0.372 . . . . 0.0 110.876 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 19.8 ttpp -38.97 -66.49 0.28 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -39.73 -53.3 3.05 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.482 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.564 ' CE2' ' HG2' ' A' ' 129' ' ' ARG . 88.6 t80 -51.03 -65.87 0.48 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.841 0.353 . . . . 0.0 110.891 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.454 ' CZ ' ' HB3' ' A' ' 138' ' ' MET . 63.6 t80 -41.73 -69.96 0.12 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.414 ' O ' ' N ' ' A' ' 102' ' ' ILE . 21.8 ttm180 -46.91 -59.91 2.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 17.9 ttp180 -42.39 -45.05 4.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 97.5 m -63.0 -33.7 75.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.162 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.414 ' N ' ' O ' ' A' ' 99' ' ' ARG . 35.6 mm -76.88 -56.81 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.165 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.431 ' NH1' ' HB2' ' A' ' 103' ' ' ARG . 3.6 ptm85 -56.37 -29.98 62.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.857 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 21.5 mtp -97.8 -6.59 32.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 54.2 mtpt 46.13 47.66 13.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.92 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 22.4 mt -83.87 129.37 34.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.909 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -114.37 163.4 15.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 33.2 m-85 -148.17 167.98 23.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.93 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -79.04 144.59 34.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.418 ' HA ' ' CE2' ' A' ' 127' ' ' TYR . 32.5 tttp -55.82 110.18 0.69 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 37.3 t -88.98 86.44 6.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.908 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' A' ' 114' ' ' SER . 49.3 mt-10 -49.28 -41.93 39.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 40.3 mtm180 -39.34 -29.34 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.851 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 115' ' ' CYS . 1.8 m 52.24 45.21 28.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.839 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' CYS . . . . . 0.43 ' C ' ' O ' ' A' ' 114' ' ' SER . 8.1 m -35.89 134.69 0.35 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.913 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -84.27 103.98 13.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 23.6 mm -62.67 95.3 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.149 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 44.8 tp60 -103.47 142.14 34.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.943 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 31.1 mtmt -43.65 -49.72 7.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 63.2 tttt -50.81 -48.73 59.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.882 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -130.88 81.89 2.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.89 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 16.6 ptt180 -88.31 -32.2 18.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 32.6 p-10 -88.91 44.31 1.2 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.91 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 23.5 ttmt -90.79 -62.07 1.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 49.8 t -110.76 147.37 34.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 23.7 mp0 -85.93 -64.19 1.19 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . 0.558 ' CE2' ' HG3' ' A' ' 131' ' ' GLN . 65.1 t80 -45.54 -68.04 0.23 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 95.8 m -41.68 -50.12 4.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . 0.564 ' HG2' ' CE2' ' A' ' 97' ' ' PHE . 38.1 ttt180 -50.17 -50.53 48.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.46 ' CE2' HD12 ' A' ' 134' ' ' LEU . 31.0 t80 -65.85 -53.23 42.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . 0.558 ' HG3' ' CE2' ' A' ' 127' ' ' TYR . 29.6 mm-40 -47.69 -50.61 24.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.05 -53.29 20.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 5.5 m -51.19 -50.93 58.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . 0.46 HD12 ' CE2' ' A' ' 130' ' ' PHE . 74.8 mt -55.78 -48.36 75.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -59.5 -32.94 70.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.112 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 71.5 mt -65.85 -28.57 69.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.969 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 114.56 23.8 4.61 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.482 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' MET . . . . . 0.454 ' HB3' ' CZ ' ' A' ' 98' ' ' PHE . 7.8 mtt -69.24 114.06 7.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.805 0.336 . . . . 0.0 110.844 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 4.1 t -74.91 112.27 10.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 47.8 p-80 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.878 179.989 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.912 0.387 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 42.8 t -44.24 150.63 0.29 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.896 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -101.36 -25.36 13.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 38.6 t -75.63 -58.67 4.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.14 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 15.1 p -99.36 -41.06 7.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 119.99 -39.8 2.37 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.501 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 80' ' ' LYS . 26.9 t70 -42.22 151.83 0.1 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.854 0.359 . . . . 0.0 110.888 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 79' ' ' ASP . 23.6 tttt -35.24 136.95 0.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.935 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -87.78 141.86 28.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.133 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 47.1 t -92.03 -39.57 11.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.838 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -160.44 -158.73 9.42 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.507 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -122.6 89.01 3.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.884 0.373 . . . . 0.0 110.893 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 42.0 m-70 -106.86 140.4 39.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.878 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 64.7 28.25 13.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.938 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 62.86 19.38 60.9 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.464 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 5.5 p -138.55 139.42 41.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.903 0.382 . . . . 0.0 111.113 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 15.8 m80 -67.52 90.83 0.26 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -118.7 157.31 27.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.116 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 20.4 p -95.46 172.93 7.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -56.04 -49.21 74.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.903 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -52.73 -70.67 0.84 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.475 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 64.1 m -52.07 -47.62 65.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.894 0.378 . . . . 0.0 110.871 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 34.3 tttt -42.25 -49.36 5.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -63.51 -60.94 6.75 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.481 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.565 ' CE2' ' HD3' ' A' ' 129' ' ' ARG . 39.3 t80 -38.09 -62.33 0.58 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.894 0.378 . . . . 0.0 110.888 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.529 ' CE2' ' HB3' ' A' ' 138' ' ' MET . 73.7 t80 -46.15 -55.12 7.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.549 ' NE ' HH21 ' A' ' 103' ' ' ARG . 29.4 ttt180 -55.76 -66.06 0.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.44 ' HA ' ' CG ' ' A' ' 103' ' ' ARG . 34.5 ttt180 -39.28 -49.12 1.92 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.858 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 90.9 m -56.81 -37.64 71.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.109 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.447 ' N ' ' O ' ' A' ' 99' ' ' ARG . 43.1 mm -77.55 -65.53 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.15 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.549 HH21 ' NE ' ' A' ' 99' ' ' ARG . 3.6 ptp180 -43.9 -28.93 0.5 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 25.7 mtp -98.91 -21.96 16.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 102' ' ' ILE . 34.6 mmtt 63.36 47.36 3.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 24.7 mt -81.45 146.75 30.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.867 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -116.43 159.82 21.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 49.5 m-85 -140.8 146.78 38.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.944 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.521 ' O ' ' CD2' ' A' ' 127' ' ' TYR . 8.0 pt-20 -55.76 162.07 1.9 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.909 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 45.7 tttt -77.71 116.42 18.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.939 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 16.4 t -105.11 115.12 29.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.85 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -85.44 -29.33 24.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 60.9 mtt180 -51.05 -22.97 2.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 115' ' ' CYS . 27.5 m 51.49 43.41 29.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.757 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' CYS . . . . . 0.426 ' C ' ' O ' ' A' ' 114' ' ' SER . 9.2 m -36.51 137.61 0.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.887 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 23.6 ttmt -89.28 109.72 20.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 28.1 mm -66.0 105.53 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.119 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 62.6 mt-30 -102.71 163.54 12.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.906 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 47.0 pttt -62.94 -43.26 99.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.845 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 48.9 mttm -62.62 -52.34 63.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 39.2 m-20 -105.65 92.36 4.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 82.7 mtm-85 -87.06 -54.81 4.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.897 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -81.53 43.8 0.76 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 12.5 tmtt? -78.52 -63.58 1.37 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 35.8 t -118.42 137.49 53.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . 0.451 ' NE2' ' HA ' ' A' ' 126' ' ' GLN . 6.0 mm-40 -78.88 -45.91 19.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.89 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . 0.521 ' CD2' ' O ' ' A' ' 109' ' ' GLU . 40.0 t80 -64.34 -71.74 0.17 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 84.4 m -41.26 -55.47 2.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.854 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . 0.565 ' HD3' ' CE2' ' A' ' 97' ' ' PHE . 41.3 ttt85 -44.61 -45.1 9.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -69.33 -60.27 2.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 40.5 mm-40 -41.81 -45.38 3.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.29 -54.66 28.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.909 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' CYS . . . . . 0.459 ' HB3' ' CD1' ' A' ' 98' ' ' PHE . 65.0 m -49.7 -39.21 36.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 93.1 mt -64.63 -48.04 76.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.926 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -57.59 -38.22 74.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.113 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 59.7 mt -60.92 -28.42 68.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 109.71 6.72 28.41 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.473 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' MET . . . . . 0.529 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 7.2 mtt -51.41 116.24 1.97 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.801 0.334 . . . . 0.0 110.897 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 1.6 t -75.89 157.63 33.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.849 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' HIS . . . . . 0.406 ' ND1' HD13 ' A' ' 102' ' ' ILE . 15.9 m170 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.873 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.909 0.385 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 44.8 t -66.23 147.34 53.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.924 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 22.4 mmt180 -90.18 -25.58 20.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 66.1 t -74.52 -70.96 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.104 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.4 ' SG ' ' N ' ' A' ' 78' ' ' GLY . 31.2 p -86.89 -48.22 8.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.4 ' N ' ' SG ' ' A' ' 77' ' ' CYS . . . 127.49 -34.24 3.09 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.514 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.447 ' O ' ' C ' ' A' ' 80' ' ' LYS . 23.8 t70 -48.86 150.72 1.4 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.859 0.361 . . . . 0.0 110.87 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 79' ' ' ASP . 18.2 tttt -34.07 137.61 0.1 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -84.94 145.56 27.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.1 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 25.0 m -93.75 -47.24 6.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -154.42 -175.95 26.18 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.474 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -103.58 89.29 3.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.882 0.373 . . . . 0.0 110.908 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 18.6 m-70 -110.73 147.23 34.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.868 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 58.07 30.7 19.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.929 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 60.49 13.29 29.68 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.445 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.423 HG13 ' CG ' ' A' ' 138' ' ' MET . 7.0 p -134.07 132.3 55.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.88 0.372 . . . . 0.0 111.12 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 25.1 m80 -62.12 91.08 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -116.26 164.38 14.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.119 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 17.8 p -102.83 159.03 15.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.882 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -46.36 -47.98 18.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -50.6 -68.73 1.33 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.492 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 84.9 m -55.24 -48.59 73.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.952 0.406 . . . . 0.0 110.907 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 20.6 tttm -38.2 -65.62 0.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.931 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -48.01 -60.46 5.53 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.46 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.466 ' CE1' ' HG2' ' A' ' 129' ' ' ARG . 11.7 t80 -38.15 -60.54 0.75 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.888 0.375 . . . . 0.0 110.881 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -44.96 -68.16 0.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 19.7 ttm180 -46.42 -58.29 3.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 17.7 ttt180 -41.94 -57.81 2.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 61.9 m -53.18 -30.66 38.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.184 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 48.4 mm -76.57 -64.07 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.163 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 28.2 ptt180 -53.56 -24.88 14.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' MET . . . . . 0.446 ' CB ' ' HG ' ' A' ' 106' ' ' LEU . 11.6 mtp -96.25 -14.13 22.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 24.7 mtpp 51.2 36.67 16.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.938 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.446 ' HG ' ' CB ' ' A' ' 104' ' ' MET . 23.8 mt -74.66 146.85 42.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 12.8 pm0 -114.99 169.51 9.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -148.96 164.97 33.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.942 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -73.47 139.16 45.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.891 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.44 ' HA ' ' CE2' ' A' ' 127' ' ' TYR . 22.1 ttmt -63.75 128.73 37.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 49.9 t -120.05 107.45 13.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.845 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -73.83 -32.81 63.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.863 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 74.1 mtp180 -47.21 -21.84 0.32 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 115' ' ' CYS . 47.0 m 48.65 45.87 21.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' CYS . . . . . 0.454 ' N ' ' SG ' ' A' ' 128' ' ' CYS . 14.0 m -36.46 151.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.88 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 6.5 tmtm? -103.53 109.62 21.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 25.6 mm -62.88 108.05 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.116 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -117.06 141.08 48.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.955 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 28.3 ttpt -47.09 -52.23 15.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.937 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 27.1 mttt -45.43 -55.09 6.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -130.31 80.99 1.98 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 30.5 ptt-85 -84.99 -34.74 22.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.844 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 43.9 t-20 -80.2 59.21 3.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 20.8 ttpt -112.19 -65.51 1.17 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 33.9 t -112.65 137.54 50.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -87.68 -55.19 3.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.941 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . 0.474 ' CE1' ' HG3' ' A' ' 131' ' ' GLN . 44.5 t80 -47.29 -56.02 7.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . 0.454 ' SG ' ' N ' ' A' ' 115' ' ' CYS . 47.2 m -53.19 -55.8 21.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.905 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . 0.466 ' HG2' ' CE1' ' A' ' 97' ' ' PHE . 13.5 ttm-85 -40.06 -53.17 2.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -62.78 -45.17 93.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . 0.474 ' HG3' ' CE1' ' A' ' 127' ' ' TYR . 14.3 mm100 -51.42 -55.87 16.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 27.1 tttp -42.32 -58.27 2.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 55.3 m -42.2 -46.48 4.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.881 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . 0.488 ' CD2' ' NE2' ' A' ' 140' ' ' HIS . 46.1 mt -63.64 -57.23 10.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -51.35 -34.31 33.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.113 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 65.6 mt -64.34 -26.22 68.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 108.44 14.84 15.07 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.504 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' MET . . . . . 0.423 ' CG ' HG13 ' A' ' 88' ' ' VAL . 17.1 mtt -59.18 121.48 11.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.738 0.304 . . . . 0.0 110.878 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 8.2 t -88.24 119.25 28.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.87 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' HIS . . . . . 0.488 ' NE2' ' CD2' ' A' ' 134' ' ' LEU . 12.9 m80 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.851 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.951 0.405 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 42.5 t -67.53 132.33 47.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.847 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.491 ' CZ ' ' HB3' ' A' ' 75' ' ' ARG . 2.6 mmm180 -88.37 25.1 1.73 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.854 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 63.7 t -128.98 -40.0 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.127 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 32.0 p -119.98 -47.02 2.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 132.51 -40.76 1.57 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.523 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 80' ' ' LYS . 21.4 t0 -52.38 155.65 2.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.896 0.379 . . . . 0.0 110.815 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 79' ' ' ASP . 0.1 OUTLIER -36.25 153.84 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -113.22 126.92 55.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.066 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 11.1 t -55.29 -53.61 53.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . 0.44 ' O ' ' CD2' ' A' ' 85' ' ' HIS . . . 172.99 -156.59 25.01 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.474 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.529 ' CZ ' ' HA2' ' A' ' 87' ' ' GLY . 2.9 t80 -68.46 130.02 41.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.902 0.382 . . . . 0.0 110.891 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.44 ' CD2' ' O ' ' A' ' 83' ' ' GLY . 78.4 m-70 -153.46 117.72 4.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.824 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 59.05 27.88 16.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.529 ' HA2' ' CZ ' ' A' ' 84' ' ' PHE . . . 88.58 -27.03 7.42 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.49 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.408 HG23 ' N ' ' A' ' 89' ' ' HIS . 8.6 p -108.07 137.95 37.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.887 0.375 . . . . 0.0 111.109 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.408 ' N ' HG23 ' A' ' 88' ' ' VAL . 64.9 m80 -74.87 97.56 3.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -115.41 171.73 7.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.06 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 14.8 p -101.21 169.37 8.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -51.32 -54.09 29.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -45.86 -71.67 0.48 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.497 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 56.3 m -53.14 -45.32 68.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.892 0.377 . . . . 0.0 110.849 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 27.9 ttmt -41.87 -59.11 1.8 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -57.29 -49.95 68.56 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.482 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.496 ' CE1' ' HD3' ' A' ' 129' ' ' ARG . 69.6 t80 -47.78 -68.58 0.17 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.843 0.354 . . . . 0.0 110.856 -179.818 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.557 ' CZ ' ' HB3' ' A' ' 138' ' ' MET . 87.1 t80 -43.3 -68.69 0.18 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.881 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 102' ' ' ILE . 0.0 OUTLIER -37.61 -63.03 0.48 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.921 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 20.5 ttt-85 -39.38 -46.43 1.63 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.437 HG23 ' CE1' ' A' ' 130' ' ' PHE . 22.3 m -59.92 -39.15 84.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.124 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.435 ' N ' ' O ' ' A' ' 99' ' ' ARG . 33.6 mm -71.98 -64.13 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.13 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 6.8 ptt180 -49.8 -34.17 18.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.886 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 66.7 mtp -91.26 -12.23 35.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.863 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 41.1 mtmt 51.79 46.14 27.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 42.6 mt -80.25 165.28 22.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.946 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -141.46 137.97 32.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.478 ' CE1' ' HB3' ' A' ' 126' ' ' GLN . 31.0 m-85 -113.8 155.65 25.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -72.66 138.5 46.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.89 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 2.5 ttmp? -49.93 117.01 2.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 18.3 t -104.45 93.15 4.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.939 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -61.48 -35.38 77.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.884 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 35.9 mtt180 -46.23 -21.03 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.4 m 46.18 49.89 12.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 13.8 m -42.89 163.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.874 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 4.9 mmmm -112.11 113.03 25.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.892 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 9.5 mm -70.68 103.19 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.129 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -97.81 178.24 5.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.933 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 37.8 pttt -84.33 -17.09 40.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 48.1 tttt -85.17 -43.82 13.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 53.4 m-20 -114.88 55.32 0.76 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.877 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 23.1 mtt85 -51.5 -22.99 3.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 12.4 p-10 -114.26 53.61 0.79 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.844 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -87.34 -59.95 2.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 34.0 t -115.11 143.71 44.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . 0.478 ' HB3' ' CE1' ' A' ' 108' ' ' TYR . 19.8 mt-30 -84.63 -40.69 17.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . 0.455 ' CE2' ' HG3' ' A' ' 131' ' ' GLN . 61.6 t80 -72.23 -70.81 0.32 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . 0.419 ' C ' ' O ' ' A' ' 127' ' ' TYR . 98.1 m -36.6 -53.88 0.88 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.931 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . 0.496 ' HD3' ' CE1' ' A' ' 97' ' ' PHE . 39.6 ttt180 -46.55 -56.47 5.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.437 ' CE1' HG23 ' A' ' 101' ' ' THR . 27.5 t80 -59.32 -46.2 89.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . 0.455 ' HG3' ' CE2' ' A' ' 127' ' ' TYR . 12.5 mm100 -54.07 -58.51 7.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.836 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 42.0 tttt -39.92 -50.51 2.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 33.6 m -53.33 -54.07 41.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.927 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 35.5 mt -50.03 -45.71 52.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.916 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -60.2 -41.24 92.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.109 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 77.9 mt -59.92 -29.15 68.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 107.73 31.1 3.77 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.48 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' MET . . . . . 0.557 ' HB3' ' CZ ' ' A' ' 98' ' ' PHE . 7.1 mtt -71.27 121.99 19.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.799 0.333 . . . . 0.0 110.888 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 34.5 p -85.02 162.05 19.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 9.8 p80 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.815 -180.0 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.888 0.375 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 45.9 t -43.15 138.38 2.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 23.4 mmt85 -97.86 23.27 8.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.811 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 96.5 t -125.72 -42.06 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.126 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 29.1 p -115.37 -46.57 2.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 130.76 -31.34 3.24 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.476 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 80' ' ' LYS . 17.3 t70 -56.81 150.43 16.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.896 0.379 . . . . 0.0 110.922 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 79' ' ' ASP . 16.9 pttm -37.15 135.4 0.5 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -82.55 130.88 35.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.058 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 5.3 t -70.64 -50.5 36.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.832 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -170.33 -178.89 41.47 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.482 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -85.31 93.6 8.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.91 0.386 . . . . 0.0 110.873 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.518 ' CG ' ' HD3' ' A' ' 95' ' ' LYS . 22.8 m-70 -115.89 138.56 51.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 62.32 25.24 15.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 72.19 11.85 75.58 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.463 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.473 HG23 ' N ' ' A' ' 89' ' ' HIS . 11.5 p -137.08 146.2 28.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.899 0.381 . . . . 0.0 111.166 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.473 ' N ' HG23 ' A' ' 88' ' ' VAL . 50.7 m80 -77.68 92.55 4.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.841 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -117.61 166.05 12.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.135 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 26.4 p -100.08 172.44 7.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -59.98 -21.85 61.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -77.81 -72.92 1.11 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.454 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 62.5 m -48.68 -20.54 0.47 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.901 0.381 . . . . 0.0 110.89 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.518 ' HD3' ' CG ' ' A' ' 85' ' ' HIS . 2.7 mtmp? -70.64 -59.04 3.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -52.05 -37.55 45.74 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.504 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -61.04 -61.9 2.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.934 0.397 . . . . 0.0 110.929 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -48.99 -68.77 0.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.929 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 27.7 ttp180 -39.91 -49.06 2.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 15.5 ttp180 -58.04 -58.06 10.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 49.1 m -50.32 -20.74 1.16 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.146 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 45.8 mm -86.7 -63.26 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.119 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.443 ' HD2' ' CG ' ' A' ' 104' ' ' MET . 0.2 OUTLIER -60.68 -21.09 62.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.834 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' MET . . . . . 0.443 ' CG ' ' HD2' ' A' ' 103' ' ' ARG . 33.2 mtp -96.33 -10.12 28.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.35 42.27 28.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 36.0 mt -79.87 147.36 31.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.439 ' O ' ' CD1' ' A' ' 108' ' ' TYR . 4.7 pt-20 -130.08 163.41 26.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.439 ' CD1' ' O ' ' A' ' 107' ' ' GLU . 40.3 m-85 -149.96 179.1 8.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.929 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -85.98 139.21 31.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.908 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.421 ' HA ' ' CE2' ' A' ' 127' ' ' TYR . 34.8 ttpt -57.36 143.98 37.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.94 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 9.3 t -132.14 107.75 8.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 114' ' ' SER . 5.2 mm-40 -80.02 -36.08 36.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 62.1 mtp180 -39.8 -28.35 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.829 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 115' ' ' CYS . 8.0 t 61.4 44.07 9.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.817 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' CYS . . . . . 0.446 ' C ' ' O ' ' A' ' 114' ' ' SER . 38.8 m -34.48 132.63 0.28 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 10.9 pttm -85.17 88.11 7.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 2.0 mt -66.88 111.02 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -119.09 166.97 12.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.908 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 22.2 pttm -54.14 -39.63 66.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 10.9 mmtp -59.35 -53.37 58.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.882 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -123.46 86.73 2.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 65.4 mtp180 -87.73 -37.35 16.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -87.81 48.47 1.65 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.857 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 6.8 tmtt? -95.21 -61.4 1.48 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.928 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 50.3 t -118.13 144.02 46.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 4.8 mp0 -86.68 -61.53 1.71 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.886 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . 0.421 ' CE2' ' HA ' ' A' ' 110' ' ' LYS . 19.0 t80 -48.06 -63.53 1.04 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.931 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 33.8 m -42.75 -47.09 5.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.905 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 28.4 ttt180 -52.07 -64.43 0.82 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.501 ' CE2' HD12 ' A' ' 134' ' ' LEU . 60.1 t80 -54.63 -46.99 73.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 50.1 mm-40 -51.92 -54.13 33.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.912 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 48.6 tttt -44.6 -46.96 10.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 9.2 m -55.46 -56.23 22.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.833 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . 0.501 HD12 ' CE2' ' A' ' 130' ' ' PHE . 13.5 mt -57.53 -44.76 85.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -57.77 -41.13 81.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.101 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 50.1 mt -62.98 -30.41 71.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 121.06 18.67 3.78 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.504 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 6.2 mtt -61.5 105.83 0.57 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.788 0.328 . . . . 0.0 110.858 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 37.1 t -84.85 124.47 31.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.846 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.843 179.995 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.903 0.382 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 42.5 t -61.44 135.85 57.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 17.1 mmt180 -93.38 24.89 3.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 69.7 t -129.0 -38.14 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.082 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 32.1 p -121.5 -46.67 2.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 129.37 -37.98 2.09 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.467 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -45.92 171.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.874 0.368 . . . . 0.0 110.855 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 10.2 pttp -57.29 142.57 42.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.869 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -87.65 120.26 28.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.086 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 31.4 t -69.99 -52.81 21.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -148.24 -159.95 8.74 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.499 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -120.91 87.78 2.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.867 0.365 . . . . 0.0 110.919 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 54.4 m-70 -105.08 145.52 30.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 60.9 26.93 16.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 61.74 20.2 59.3 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.439 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.421 HG11 ' CG ' ' A' ' 138' ' ' MET . 4.2 p -137.43 131.13 44.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.87 0.367 . . . . 0.0 111.138 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 11.9 m80 -58.15 91.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -120.17 161.37 21.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.058 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 14.7 p -100.34 168.3 9.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.932 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -54.09 -51.8 63.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.845 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -47.49 -69.78 0.84 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.481 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . 0.43 ' O ' ' C ' ' A' ' 95' ' ' LYS . 64.2 m -55.97 -52.11 65.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.918 0.389 . . . . 0.0 110.895 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 94' ' ' CYS . 47.1 tttt -36.05 -60.3 0.56 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -54.38 -54.87 29.69 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.432 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.404 ' CE1' ' HD3' ' A' ' 129' ' ' ARG . 9.3 t80 -41.24 -51.96 3.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.875 0.369 . . . . 0.0 110.889 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -53.98 -68.75 0.15 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.847 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 8.1 tpt180 -39.24 -50.36 1.95 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 35.4 ttm180 -59.46 -61.37 2.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.873 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.536 HG22 ' CD1' ' A' ' 130' ' ' PHE . 24.6 m -42.36 -25.62 0.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.182 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 26.1 mm -86.25 -65.51 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.14 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.439 ' CG ' ' N ' ' A' ' 104' ' ' MET . 15.2 ptt180 -48.82 -44.13 39.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.867 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' MET . . . . . 0.439 ' N ' ' CG ' ' A' ' 103' ' ' ARG . 41.6 mtp -84.57 -6.64 59.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 56.6 mttt 45.97 41.07 7.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 13.6 mt -70.93 125.69 27.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 24.1 pm0 -105.44 164.22 12.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -139.35 176.0 9.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.958 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -86.86 136.77 32.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.4 ' HA ' ' CZ ' ' A' ' 127' ' ' TYR . 13.2 tppt? -45.3 150.35 0.44 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 17.0 t -143.44 118.53 10.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.849 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 113' ' ' ARG . 41.6 mt-10 -92.39 -40.87 10.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.84 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 112' ' ' GLU . 26.5 mmm-85 -37.01 -36.32 0.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.854 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 115' ' ' CYS . 1.1 t 71.57 37.54 1.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.753 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' CYS . . . . . 0.446 ' N ' ' SG ' ' A' ' 128' ' ' CYS . 7.0 m -34.7 148.11 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 48.5 mttt -104.86 120.63 41.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 18.0 mm -72.8 101.64 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.079 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.407 ' O ' ' N ' ' A' ' 122' ' ' ARG . 25.9 tp60 -96.66 142.98 28.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.935 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.404 ' O ' ' NH1' ' A' ' 122' ' ' ARG . 9.8 ptpp? -55.68 -45.1 77.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.27 -50.6 73.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 48.9 m-20 -127.39 66.12 1.31 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.893 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . 0.407 ' N ' ' O ' ' A' ' 118' ' ' GLN . 9.7 ptt-85 -74.61 -26.19 59.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.908 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -83.49 65.65 8.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.849 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 30.3 mttt -118.68 -64.14 1.32 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 19.2 t -114.63 139.34 49.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -87.79 -41.47 13.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.953 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . 0.4 ' CZ ' ' HA ' ' A' ' 110' ' ' LYS . 17.9 t80 -58.18 -68.37 0.26 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.96 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . 0.446 ' SG ' ' N ' ' A' ' 115' ' ' CYS . 89.0 m -47.54 -33.85 6.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.951 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . 0.404 ' HD3' ' CE1' ' A' ' 97' ' ' PHE . 42.7 ttt85 -61.66 -53.18 59.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.923 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.536 ' CD1' HG22 ' A' ' 101' ' ' THR . 54.1 t80 -67.65 -45.05 76.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 26.3 mm100 -53.35 -47.09 69.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 34.8 tttt -54.79 -45.67 74.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 47.3 m -55.59 -38.85 69.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.894 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 20.8 mt -69.14 -46.14 68.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.959 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -58.07 -26.19 62.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.069 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 80.3 mt -73.13 -15.94 61.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 97.15 2.08 59.32 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.506 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' MET . . . . . 0.421 ' CG ' HG11 ' A' ' 88' ' ' VAL . 17.4 mtt -41.38 115.46 0.62 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.796 0.332 . . . . 0.0 110.842 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 40.0 p -81.33 74.81 8.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.815 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 33.2 p-80 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.866 179.917 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.922 0.391 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 48.8 t -79.17 153.81 29.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.845 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 24.6 mmm180 -92.99 -31.99 14.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.437 HG22 ' CD1' ' A' ' 136' ' ' LEU . 70.2 t -70.99 -71.45 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.112 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.422 ' SG ' ' N ' ' A' ' 78' ' ' GLY . 23.7 p -85.73 -47.84 9.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.422 ' N ' ' SG ' ' A' ' 77' ' ' CYS . . . 126.73 -37.31 2.44 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.484 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.46 ' O ' ' C ' ' A' ' 80' ' ' LYS . 19.4 t70 -45.15 153.67 0.19 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.836 0.351 . . . . 0.0 110.873 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 79' ' ' ASP . 18.7 ttpt -33.34 134.61 0.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.923 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -87.83 140.2 29.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.132 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 25.9 t -83.67 -48.22 10.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.841 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -158.96 -152.03 6.31 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.451 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.427 ' CZ ' ' O ' ' A' ' 87' ' ' GLY . 3.9 t80 -121.21 90.35 3.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.888 0.375 . . . . 0.0 110.849 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 69.2 m-70 -105.79 141.4 37.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.88 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 60.94 33.61 19.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.427 ' O ' ' CZ ' ' A' ' 84' ' ' PHE . . . 60.85 19.31 55.64 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.506 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 10.6 p -137.86 142.93 34.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.898 0.38 . . . . 0.0 111.134 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 41.5 m80 -73.87 93.59 2.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.849 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -123.69 165.84 16.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.171 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 19.0 p -101.83 164.74 11.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.871 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -53.94 -55.59 25.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -42.77 -62.52 2.23 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.504 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . 0.411 ' O ' ' C ' ' A' ' 95' ' ' LYS . 75.6 m -53.9 -53.19 56.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.919 0.39 . . . . 0.0 110.885 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 94' ' ' CYS . 5.6 ttpm? -37.52 -62.15 0.55 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.938 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -46.53 -44.7 16.72 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.478 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -60.04 -60.46 3.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.836 0.35 . . . . 0.0 110.831 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -50.72 -66.0 0.46 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 37.2 ttp85 -47.27 -46.62 24.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.84 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 23.7 ttp180 -56.17 -48.56 76.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 61.9 m -61.0 -24.45 66.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.142 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 20.7 mm -86.65 -65.51 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.097 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -50.72 -27.88 7.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 41.9 mtp -97.22 -16.67 20.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.873 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 18.7 mtmt 55.38 47.68 20.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 39.0 mt -84.17 143.8 29.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -105.72 160.39 15.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.894 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 57.5 m-85 -136.32 146.54 46.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -58.48 138.83 56.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.842 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 9.3 tppt? -63.16 119.76 10.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.908 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 42.6 t -115.26 108.68 16.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -74.81 -34.56 62.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 26.2 mtp180 -47.7 -21.69 0.41 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 115' ' ' CYS . 3.8 m 48.13 47.76 18.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 -179.775 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' CYS . . . . . 0.424 ' C ' ' O ' ' A' ' 114' ' ' SER . 9.3 m -36.23 144.92 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.896 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -93.87 113.49 25.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 7.9 mm -74.2 95.87 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.126 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -108.68 147.49 31.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 3.9 pttm -47.17 -51.34 18.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -42.98 -55.01 3.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.864 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -133.62 88.51 2.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -89.28 -34.63 16.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 55.4 t30 -82.41 65.53 7.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 19.5 mttm -116.96 -63.83 1.39 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 15.0 t -114.51 138.05 51.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.882 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -81.82 -53.89 5.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . 0.454 ' CE1' ' HG3' ' A' ' 131' ' ' GLN . 43.1 t80 -51.62 -65.73 0.51 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.923 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 82.7 m -47.19 -44.31 22.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.901 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -54.23 -48.66 70.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.832 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -66.04 -49.04 69.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . 0.454 ' HG3' ' CE1' ' A' ' 127' ' ' TYR . 78.2 mm-40 -49.49 -47.19 48.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 27.5 tttp -49.56 -48.52 48.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 87.5 m -53.57 -49.02 68.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 69.1 mt -62.29 -39.01 91.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.879 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -65.4 -40.35 93.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.072 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.437 ' CD1' HG22 ' A' ' 76' ' ' VAL . 70.7 mt -60.0 -25.43 65.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 104.21 22.81 8.45 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.47 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 8.5 mtt -66.67 107.33 2.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.794 0.331 . . . . 0.0 110.868 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 2.9 t -60.49 119.12 7.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.833 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 37.7 p-80 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.877 179.939 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.857 0.361 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 39.7 t -66.98 138.21 57.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -90.62 29.64 1.28 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 87.0 t -134.85 -39.89 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.136 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 31.3 p -125.66 -46.92 1.71 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.885 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 135.84 -35.0 2.2 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.509 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -50.65 151.5 2.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.9 0.381 . . . . 0.0 110.871 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 10.3 ttmm -39.26 137.5 0.74 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.948 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 82' ' ' SER . . . -74.48 83.65 1.99 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.075 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 81' ' ' ALA . 29.4 t -34.96 -52.08 0.54 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.85 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -156.06 -166.26 15.73 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.483 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.458 ' CE2' ' HA2' ' A' ' 87' ' ' GLY . 26.3 t80 -114.74 88.55 2.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.924 0.392 . . . . 0.0 110.905 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 46.6 m-70 -104.73 155.83 18.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.826 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 52.96 26.41 4.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.458 ' HA2' ' CE2' ' A' ' 84' ' ' PHE . . . 63.61 18.08 60.96 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.445 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 7.7 p -135.89 131.05 49.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.857 0.361 . . . . 0.0 111.088 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 11.4 m80 -57.17 99.4 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -133.53 167.4 20.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.049 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 16.7 p -100.01 171.91 7.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.841 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -62.77 -51.13 68.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -45.54 -70.46 0.63 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.445 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . 0.466 ' O ' ' N ' ' A' ' 97' ' ' PHE . 95.4 m -43.54 -56.53 3.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.915 0.388 . . . . 0.0 110.893 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 94' ' ' CYS . 18.2 ttmt -35.23 -55.74 0.62 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -53.72 -39.41 61.27 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.487 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.466 ' N ' ' O ' ' A' ' 94' ' ' CYS . 8.2 t80 -67.07 -50.61 61.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.918 0.39 . . . . 0.0 110.883 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -57.92 -58.77 6.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.82 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 26.2 ttp180 -55.94 -52.95 62.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 18.0 ttt180 -46.52 -51.7 14.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 99.6 m -57.71 -31.6 66.57 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.134 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 30.6 mm -79.73 -65.63 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -49.53 -34.96 18.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 76.5 mtp -89.03 -19.0 26.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 17.4 mmtp 58.72 37.59 25.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 39.9 mt -72.11 139.03 48.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.938 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -102.35 162.97 12.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -137.62 175.26 9.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.935 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -101.66 135.24 43.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.93 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 35.3 ttmt -50.05 115.5 1.44 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 50.0 t -105.23 94.44 5.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 113' ' ' ARG . 36.3 mt-10 -62.44 -44.72 95.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 112' ' ' GLU . 0.1 OUTLIER -35.79 -45.31 0.38 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 -179.937 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.7 t 73.0 46.56 0.23 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' CYS . . . . . 0.451 ' N ' ' SG ' ' A' ' 128' ' ' CYS . 8.2 m -39.56 142.61 0.28 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.845 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 15.1 ttmt -91.15 110.27 21.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.872 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 14.0 mm -67.4 121.61 16.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -121.97 168.16 12.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 3.9 pttp -74.5 -23.13 58.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.939 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -78.19 -49.93 12.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -124.21 74.5 1.31 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 30.3 ptt180 -80.96 -35.92 31.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 5.7 p-10 -85.08 44.95 1.12 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 16.5 tptp -95.15 -59.73 1.83 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.901 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 17.3 t -117.34 129.11 55.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.937 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 19.8 mp0 -75.93 -44.42 40.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -59.56 -66.91 0.44 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . 0.451 ' SG ' ' N ' ' A' ' 115' ' ' CYS . 67.7 m -44.59 -58.15 3.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.873 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 3.0 tpp85 -41.03 -57.28 2.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.906 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -55.94 -54.01 49.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.871 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -42.13 -49.19 4.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 44.6 tttt -48.11 -48.1 34.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' CYS . . . . . 0.428 ' O ' ' N ' ' A' ' 136' ' ' LEU . 81.3 m -54.57 -60.37 3.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.837 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 98.7 mt -42.23 -36.74 1.29 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -74.88 -36.43 62.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.073 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.428 ' N ' ' O ' ' A' ' 133' ' ' CYS . 37.9 mt -61.19 -24.24 66.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 92.98 27.59 13.55 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.475 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 28.3 mtt -63.1 172.19 1.93 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.781 0.324 . . . . 0.0 110.898 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 4.1 m -125.86 102.08 7.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 2.4 p-80 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.846 -179.998 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.946 0.403 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 44.6 t -54.28 128.87 33.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.918 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 24.2 mmt180 -86.9 24.08 1.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.832 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.452 HG23 ' CD1' ' A' ' 136' ' ' LEU . 96.8 t -125.17 -47.11 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.138 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 26.8 p -110.56 -48.12 3.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.895 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 132.35 -34.69 2.47 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.503 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -48.92 176.6 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.835 0.35 . . . . 0.0 110.898 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 14.8 tptm -73.25 119.25 17.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -55.76 164.25 1.17 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.077 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 31.0 t -120.0 -46.72 2.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.805 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -150.54 148.82 20.42 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.549 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -76.65 87.99 3.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.878 0.37 . . . . 0.0 110.869 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 69.3 m-70 -107.08 153.61 22.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.846 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 51.73 32.15 9.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.878 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 57.92 20.93 43.08 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.486 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.407 ' CG1' ' HG2' ' A' ' 138' ' ' MET . 6.2 p -138.0 135.68 45.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.84 0.353 . . . . 0.0 111.12 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 21.7 m80 -65.63 92.37 0.14 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -119.02 167.72 11.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.045 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 20.2 p -101.67 179.21 4.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -64.16 -49.9 70.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -53.5 -72.72 0.49 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.519 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 90.3 m -40.53 -53.63 2.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.902 0.382 . . . . 0.0 110.9 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 57.5 tttp -38.44 -59.28 0.92 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -52.25 -43.91 57.41 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.457 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.556 ' CZ ' ' HD3' ' A' ' 129' ' ' ARG . 83.4 t80 -56.1 -63.21 1.26 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.831 0.348 . . . . 0.0 110.86 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -45.99 -65.8 0.49 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.413 ' O ' ' N ' ' A' ' 102' ' ' ILE . 35.1 ttt-85 -47.37 -60.35 2.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.822 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 39.4 ttm180 -39.32 -54.39 1.86 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.49 ' O ' ' N ' ' A' ' 105' ' ' LYS . 42.9 m -55.28 -36.95 66.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.135 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.413 ' N ' ' O ' ' A' ' 99' ' ' ARG . 44.9 mm -70.61 -63.69 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.092 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -54.94 -31.12 60.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 58.8 mtp -93.69 -18.6 21.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' A' ' 101' ' ' THR . 20.5 mmmt 56.97 47.26 17.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 28.5 mt -73.44 136.22 44.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.933 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -100.36 153.93 18.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -135.58 178.28 7.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -111.3 139.58 46.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.921 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 1.3 ttmp? -54.89 105.08 0.14 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 12.3 t -92.43 97.16 10.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 114' ' ' SER . 20.6 mm-40 -63.84 -41.99 97.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 52.2 mtt180 -39.37 -27.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.848 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 112' ' ' GLU . 4.0 m 54.75 45.99 25.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 -179.814 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 5.6 m -42.16 147.16 0.25 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.861 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -91.76 111.72 23.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 50.0 mm -67.16 87.67 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.148 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -84.81 152.7 23.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.944 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.46 ' HG3' ' N ' ' A' ' 120' ' ' LYS . 12.0 pttm -63.29 -40.11 96.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.46 ' N ' ' HG3' ' A' ' 119' ' ' LYS . 5.4 mtpm? -55.37 -53.01 61.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -119.6 88.28 2.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.87 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 92.8 mtm-85 -79.38 -40.64 29.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.842 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 35.7 m120 -81.97 44.31 0.83 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 26.8 tptt -90.24 -57.73 2.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 11.9 t -118.39 142.9 47.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.878 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -86.71 -47.06 9.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . 0.448 ' CE2' ' HG3' ' A' ' 131' ' ' GLN . 55.6 t80 -66.78 -67.9 0.42 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.953 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 95.8 m -42.01 -42.74 2.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.883 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . 0.556 ' HD3' ' CZ ' ' A' ' 97' ' ' PHE . 58.2 ttt180 -57.02 -63.29 1.26 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -55.5 -45.17 77.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . 0.448 ' HG3' ' CE2' ' A' ' 127' ' ' TYR . 17.4 mm-40 -48.3 -54.8 12.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 28.2 tttp -46.57 -48.52 19.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.932 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 69.7 m -52.5 -57.73 8.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 83.7 mt -47.46 -45.07 25.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.92 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -55.88 -44.62 78.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.106 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.452 ' CD1' HG23 ' A' ' 76' ' ' VAL . 24.0 mt -60.99 -29.87 69.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 99.49 35.07 4.8 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.492 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' MET . . . . . 0.407 ' HG2' ' CG1' ' A' ' 88' ' ' VAL . 23.4 mtp -66.6 99.09 0.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.772 0.32 . . . . 0.0 110.919 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 19.2 m -44.75 107.18 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.835 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 26.8 p-80 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.846 179.988 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.871 0.367 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . 0.528 ' O ' ' N ' ' A' ' 78' ' ' GLY . 22.3 t -72.7 110.07 6.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 35.4 mtt-85 -49.32 -35.15 17.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.434 HG23 ' CD1' ' A' ' 136' ' ' LEU . 5.2 t -61.84 -71.67 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.15 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 28.7 p -98.7 -45.28 6.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.836 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.528 ' N ' ' O ' ' A' ' 74' ' ' CYS . . . 125.43 -32.37 3.93 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.5 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -44.32 159.61 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.898 0.38 . . . . 0.0 110.861 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -42.45 127.66 3.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -75.01 152.52 38.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.112 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 19.2 m -104.39 -43.89 5.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -165.45 170.22 40.25 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.446 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.444 ' CE2' ' HA2' ' A' ' 87' ' ' GLY . 6.5 t80 -87.71 89.18 7.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.905 0.383 . . . . 0.0 110.884 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 65.8 m-70 -110.45 132.78 53.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 69.16 29.64 4.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.95 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.444 ' HA2' ' CE2' ' A' ' 84' ' ' PHE . . . 64.05 12.66 50.22 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.525 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.462 HG11 ' CG ' ' A' ' 138' ' ' MET . 7.2 p -134.32 140.21 46.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.866 0.365 . . . . 0.0 111.119 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 9.1 m80 -71.61 100.21 2.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -120.38 161.03 21.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.107 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 16.4 p -101.2 155.81 17.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -47.46 -46.13 26.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.912 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -53.5 -42.48 65.91 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.458 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 60.9 m -79.1 -57.29 3.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.879 0.371 . . . . 0.0 110.849 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -40.19 -53.67 2.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -57.0 -37.91 82.11 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.494 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.472 ' CE2' ' CG ' ' A' ' 129' ' ' ARG . 4.1 t80 -65.01 -63.25 1.15 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.915 0.388 . . . . 0.0 110.931 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.45 ' N ' ' CD2' ' A' ' 97' ' ' PHE . 42.8 t80 -49.06 -56.93 7.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.889 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 27.5 ttm180 -53.37 -53.48 50.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 30.0 ttp180 -50.96 -46.14 61.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.825 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 24.4 m -61.93 -29.13 70.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.14 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 30.8 mm -79.54 -62.9 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.121 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 1.6 ptp180 -54.0 -25.12 19.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 36.6 mtp -102.29 -9.13 20.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 56.8 mttp 47.49 45.04 17.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 37.1 mt -79.96 176.78 9.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.937 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -146.29 155.18 42.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.942 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.407 ' CE2' ' HB3' ' A' ' 126' ' ' GLN . 46.4 m-85 -132.52 134.76 45.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -47.52 131.92 13.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 22.9 ttpt -51.86 115.59 1.74 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 42.8 t -94.78 96.8 9.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -62.43 -31.91 72.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 6.2 mpt_? -52.84 -21.37 4.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.8 m 46.3 47.69 13.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.839 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' CYS . . . . . 0.433 ' N ' ' SG ' ' A' ' 128' ' ' CYS . 17.7 m -42.45 157.2 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 17.0 mtpp -103.78 113.12 26.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.935 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 23.6 mm -63.26 93.6 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.107 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -101.81 144.81 30.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 26.0 ttpt -54.59 -43.13 71.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.476 ' O ' ' CG ' ' A' ' 121' ' ' ASN . 0.0 OUTLIER -58.38 -37.96 76.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 179.901 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . 0.476 ' CG ' ' O ' ' A' ' 120' ' ' LYS . 13.6 m120 -170.82 121.39 0.57 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 6.3 mpt_? -72.14 1.6 7.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . 0.424 ' O ' ' C ' ' A' ' 124' ' ' LYS . 7.8 t-20 75.08 36.09 0.56 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 123' ' ' ASN . 7.5 mtmp? 35.35 37.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 2.7 t -109.57 126.58 53.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . 0.407 ' HB3' ' CE2' ' A' ' 108' ' ' TYR . 2.9 mp0 -85.92 -43.98 12.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . 0.441 ' CE2' ' HG3' ' A' ' 131' ' ' GLN . 64.6 t80 -58.57 -66.82 0.43 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . 0.433 ' SG ' ' N ' ' A' ' 115' ' ' CYS . 61.6 m -43.59 -32.74 1.0 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . 0.472 ' CG ' ' CE2' ' A' ' 97' ' ' PHE . 7.7 tpp85 -66.49 -44.34 82.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.851 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -68.91 -44.08 73.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . 0.441 ' HG3' ' CE2' ' A' ' 127' ' ' TYR . 53.8 mm-40 -50.8 -55.46 16.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 45.7 tttt -52.46 -56.94 11.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.917 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 51.7 m -42.8 -42.63 3.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 98.4 mt -67.48 -42.58 82.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.949 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -65.12 -35.95 82.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.088 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.434 ' CD1' HG23 ' A' ' 76' ' ' VAL . 72.4 mt -60.6 -27.25 67.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 109.3 6.69 29.23 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.442 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' MET . . . . . 0.462 ' CG ' HG11 ' A' ' 88' ' ' VAL . 9.3 mtt -53.14 115.32 1.82 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.823 0.344 . . . . 0.0 110.894 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 44.0 p -76.73 121.7 23.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.87 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 51.2 p-80 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 179.969 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.88 0.371 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 42.2 t -58.98 150.89 23.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.927 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 24.3 mmm180 -100.43 -29.41 12.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.455 HG23 ' CD1' ' A' ' 136' ' ' LEU . 36.2 t -71.38 -62.71 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.12 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 14.8 p -97.97 -40.87 8.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.903 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 79' ' ' ASP . . . 122.24 -42.18 1.69 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.441 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.441 ' O ' ' C ' ' A' ' 80' ' ' LYS . 9.5 t70 -36.8 152.04 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.856 0.36 . . . . 0.0 110.843 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 79' ' ' ASP . 13.2 ptmt -33.99 141.87 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -91.94 122.14 34.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.132 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.0 t -73.66 -43.73 58.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 -179.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -158.67 -165.55 16.06 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.51 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -117.24 90.46 3.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.839 0.352 . . . . 0.0 110.896 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 56.3 m-70 -107.65 144.42 34.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 61.2 29.74 18.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.954 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 59.76 19.77 50.44 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.483 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.425 HG11 ' CG ' ' A' ' 138' ' ' MET . 7.7 p -139.8 129.75 29.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.893 0.378 . . . . 0.0 111.113 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 17.7 m80 -58.24 102.43 0.11 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -131.41 153.09 50.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.128 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 17.6 p -92.29 172.98 8.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.845 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -61.21 -52.48 64.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -46.23 -69.58 0.81 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.445 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . 0.417 ' O ' ' C ' ' A' ' 95' ' ' LYS . 93.6 m -47.41 -55.5 8.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.895 0.378 . . . . 0.0 110.886 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 94' ' ' CYS . 6.0 ttpm? -36.92 -59.53 0.69 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -44.02 -44.98 7.59 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.471 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.512 ' CE2' ' HG2' ' A' ' 129' ' ' ARG . 62.3 t80 -61.3 -66.41 0.54 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.932 0.396 . . . . 0.0 110.927 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -48.26 -61.47 1.97 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.936 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 28.0 ttp180 -43.26 -58.94 2.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.853 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 18.9 ttm180 -46.69 -41.75 15.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 26.6 m -67.35 -25.62 66.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.152 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 21.6 mm -83.14 -60.83 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.119 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -49.77 -42.82 47.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' MET . . . . . 0.459 ' O ' ' C ' ' A' ' 105' ' ' LYS . 25.5 mmm -99.78 11.41 39.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.459 ' C ' ' O ' ' A' ' 104' ' ' MET . 44.7 mmtt 33.79 45.28 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 13.1 mt -64.33 126.03 26.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -100.04 158.1 16.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -141.18 175.23 9.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.937 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -96.81 130.99 43.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.509 ' HA ' ' CZ ' ' A' ' 127' ' ' TYR . 63.8 tttt -46.42 133.0 10.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 48.0 t -112.25 102.92 11.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 113' ' ' ARG . 37.2 mt-10 -63.67 -43.95 95.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.917 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.435 ' C ' ' O ' ' A' ' 112' ' ' GLU . 48.7 mtp180 -35.24 -35.57 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.861 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.416 ' N ' ' O ' ' A' ' 112' ' ' GLU . 9.4 t 62.84 45.9 5.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.815 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 4.6 m -47.18 159.28 0.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.839 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 11.9 ptpt -113.21 116.68 30.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.866 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 8.7 mm -74.4 117.5 18.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.195 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 37.3 mm-40 -123.48 159.1 29.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.873 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.435 ' HG3' ' N ' ' A' ' 120' ' ' LYS . 10.6 ptpp? -56.45 -50.38 71.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.435 ' N ' ' HG3' ' A' ' 119' ' ' LYS . 34.0 mmtp -47.81 -54.98 10.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.855 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -124.3 90.38 3.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.842 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 54.7 mtm180 -80.92 -44.63 17.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -80.14 52.34 1.53 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 5.0 mmmm -89.57 -60.12 2.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.934 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 40.2 t -116.97 149.2 40.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -88.28 -40.76 13.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.917 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . 0.509 ' CZ ' ' HA ' ' A' ' 110' ' ' LYS . 33.1 t80 -77.36 -69.94 0.5 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.947 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . 0.409 ' C ' ' O ' ' A' ' 127' ' ' TYR . 90.0 m -36.56 -44.76 0.47 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.886 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . 0.512 ' HG2' ' CE2' ' A' ' 97' ' ' PHE . 40.5 ttt85 -52.29 -57.88 8.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.852 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -57.91 -47.13 83.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 25.0 mm-40 -49.57 -55.61 12.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.942 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 20.0 tttp -41.6 -54.34 3.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.948 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 36.1 m -46.84 -58.65 3.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 66.0 mt -49.95 -44.9 50.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -67.99 -32.22 72.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.089 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.455 ' CD1' HG23 ' A' ' 76' ' ' VAL . 25.8 mt -65.94 -27.81 68.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.947 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 116.63 22.97 4.19 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.451 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' MET . . . . . 0.425 ' CG ' HG11 ' A' ' 88' ' ' VAL . 15.7 mtt -75.36 177.02 6.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.807 0.337 . . . . 0.0 110.828 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 3.1 m -156.56 171.56 20.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 21.1 p80 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 179.962 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.858 0.361 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 47.2 t -79.68 130.04 35.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.429 ' O ' ' CD1' ' A' ' 136' ' ' LEU . 32.0 mmt180 -84.72 27.13 0.76 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.834 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 59.2 t -131.35 -44.23 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.144 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 29.0 p -117.29 -47.56 2.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 131.21 -37.07 2.14 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.501 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -47.71 154.26 0.5 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.826 0.346 . . . . 0.0 110.916 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -44.97 127.85 6.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.89 126.58 30.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.9 m -75.2 -49.58 18.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -151.42 -154.6 6.62 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.455 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -127.01 92.82 3.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.889 0.376 . . . . 0.0 110.89 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 60.3 m-70 -111.17 156.47 21.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.864 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.418 ' CE2' ' CD2' ' A' ' 98' ' ' PHE . 10.8 m-85 50.58 27.41 2.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.85 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 59.99 26.53 63.36 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.482 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.412 ' O ' ' N ' ' A' ' 90' ' ' ALA . 9.9 p -142.41 123.98 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.848 0.356 . . . . 0.0 111.154 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 12.8 m80 -52.76 90.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.837 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.412 ' N ' ' O ' ' A' ' 88' ' ' VAL . . . -120.6 169.03 10.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.095 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 15.4 p -105.23 172.15 6.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.854 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -59.45 -53.81 53.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.89 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -43.78 -63.55 2.19 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.513 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . 0.433 ' O ' ' C ' ' A' ' 95' ' ' LYS . 73.3 m -57.95 -53.83 53.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.953 0.406 . . . . 0.0 110.917 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 94' ' ' CYS . 0.6 OUTLIER -35.58 -58.24 0.6 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.874 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -57.12 -42.24 93.07 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.488 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.576 ' CZ ' ' HD3' ' A' ' 129' ' ' ARG . 47.1 t80 -56.15 -57.13 13.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.913 0.387 . . . . 0.0 110.895 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.418 ' CD2' ' CE2' ' A' ' 86' ' ' TYR . 74.5 t80 -49.74 -61.44 2.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.895 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 20.7 ttp180 -53.06 -50.91 63.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.843 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 22.5 ttp180 -50.61 -42.56 56.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 72.8 m -64.82 -34.83 79.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.14 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.498 ' O ' ' N ' ' A' ' 105' ' ' LYS . 28.3 mm -74.78 -66.01 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.094 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.439 ' HG3' ' N ' ' A' ' 104' ' ' MET . 0.4 OUTLIER -40.54 -38.2 0.82 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.876 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' MET . . . . . 0.472 ' HE3' ' CD2' ' A' ' 106' ' ' LEU . 5.8 mtm -91.77 -21.1 20.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 102' ' ' ILE . 7.4 mmmm 62.05 48.17 5.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.472 ' CD2' ' HE3' ' A' ' 104' ' ' MET . 14.4 mt -75.48 146.54 40.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -120.47 149.85 41.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.89 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -137.41 157.92 45.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.945 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -69.87 167.65 16.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.846 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 11.4 tppt? -82.77 111.64 18.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.899 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 23.0 t -97.5 92.92 6.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -61.86 -38.15 87.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 34.5 mtt85 -38.68 -34.53 0.15 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.892 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 33.9 m 61.61 45.71 7.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 7.6 m -39.69 146.77 0.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 60.8 tttt -95.86 100.81 12.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.894 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 32.9 mm -63.31 97.74 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.178 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 16.9 mm-40 -100.0 -179.34 4.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 43.3 tttm -76.56 -41.94 44.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 74.8 mttt -62.34 -53.04 60.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.961 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -105.61 57.93 0.67 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 17.3 mtm180 -55.24 -53.94 49.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 10.1 p30 -86.9 52.68 2.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 50.3 tttt -84.01 -62.76 1.49 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 48.8 t -116.38 152.36 34.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -87.39 -63.34 1.32 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . 0.403 ' O ' ' N ' ' A' ' 130' ' ' PHE . 53.9 t80 -54.37 -67.15 0.29 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.961 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 20.7 m -38.14 -43.62 0.77 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.851 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . 0.576 ' HD3' ' CZ ' ' A' ' 97' ' ' PHE . 22.8 ttt180 -61.74 -46.11 91.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.543 ' CE2' HD11 ' A' ' 134' ' ' LEU . 81.7 t80 -67.24 -43.2 82.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.947 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -55.62 -50.0 71.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.9 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 61.9 tttt -47.52 -46.06 27.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 9.9 m -57.4 -48.05 80.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . 0.543 HD11 ' CE2' ' A' ' 130' ' ' PHE . 19.7 mt -61.76 -48.73 79.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.92 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -57.89 -41.09 81.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.089 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.429 ' CD1' ' O ' ' A' ' 75' ' ' ARG . 59.2 mt -57.67 -30.1 65.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 111.45 31.38 2.81 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.484 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 9.1 mtt -74.49 123.8 25.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.747 0.308 . . . . 0.0 110.91 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 27.3 m -87.8 129.8 35.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.909 0.385 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 33.7 t -42.86 136.25 2.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 21.5 mmt180 -92.05 7.61 41.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.1 t -108.65 -60.72 2.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.104 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 28.6 p -95.34 -42.13 8.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 125.53 -39.25 2.09 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.476 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -46.96 158.01 0.14 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.834 0.35 . . . . 0.0 110.902 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 18.1 ttpt -40.78 138.31 1.03 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -81.64 107.38 14.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.116 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 13.3 t -52.75 -57.91 8.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -149.31 -153.72 6.13 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.527 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.55 ' CE2' ' HA2' ' A' ' 87' ' ' GLY . 25.7 t80 -123.0 88.3 2.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.824 0.345 . . . . 0.0 110.86 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.567 ' CD2' ' HE3' ' A' ' 95' ' ' LYS . 66.1 m-70 -104.55 151.89 23.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.795 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 50.62 31.5 5.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.55 ' HA2' ' CE2' ' A' ' 84' ' ' PHE . . . 57.7 26.75 57.97 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.463 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.452 ' CG1' ' HE2' ' A' ' 138' ' ' MET . 10.1 p -141.44 125.75 16.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.871 0.367 . . . . 0.0 111.135 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 11.2 m80 -55.42 92.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -124.63 167.21 14.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.092 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 16.7 p -100.31 176.23 5.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -64.37 -45.03 89.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -53.19 -72.45 0.53 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.512 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . 0.409 ' O ' ' C ' ' A' ' 95' ' ' LYS . 78.3 m -44.22 -51.82 7.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.904 0.383 . . . . 0.0 110.876 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.567 ' HE3' ' CD2' ' A' ' 85' ' ' HIS . 10.0 ttmt -37.23 -54.1 1.04 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.925 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -55.76 -40.05 78.87 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.47 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.404 ' N ' ' O ' ' A' ' 94' ' ' CYS . 51.7 t80 -58.53 -55.99 27.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.861 0.363 . . . . 0.0 110.891 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -53.24 -61.42 2.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.913 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 16.3 tpt180 -49.35 -58.82 4.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.83 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 11.3 ttp180 -42.99 -52.12 5.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.894 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 36.3 m -58.11 -34.48 70.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.087 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 48.0 mm -74.71 -64.48 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.136 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 16.8 ptt180 -51.74 -29.83 20.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.839 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 30.6 mtp -93.27 -14.59 26.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 37.1 mttm 55.23 45.11 26.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 51.0 mt -79.6 140.22 37.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.584 ' O ' ' CD1' ' A' ' 108' ' ' TYR . 14.3 mm-40 -111.47 168.65 9.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.584 ' CD1' ' O ' ' A' ' 107' ' ' GLU . 38.1 m-85 -151.38 165.37 34.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -91.09 138.23 31.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.908 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.45 ' HA ' ' CE1' ' A' ' 127' ' ' TYR . 13.1 ttmt -51.75 110.65 0.49 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 15.3 t -94.97 95.24 8.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.858 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 113' ' ' ARG . 46.3 mt-10 -52.66 -48.56 66.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.435 ' C ' ' O ' ' A' ' 112' ' ' GLU . 3.5 mmp_? -34.85 -36.18 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.902 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 115' ' ' CYS . 24.1 p 57.87 43.08 22.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.878 -179.796 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' CYS . . . . . 0.488 ' N ' ' SG ' ' A' ' 128' ' ' CYS . 5.3 m -35.54 152.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.848 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 32.3 mtmt -109.6 108.89 19.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.871 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 33.6 mm -62.22 116.9 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.16 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 3.2 tp-100 -125.55 158.71 33.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.908 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 15.0 tptp -54.43 -52.26 62.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 3.5 ttmm -45.44 -48.29 13.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.922 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 -125.99 81.63 2.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 49.6 mtt180 -65.69 -54.5 26.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -88.79 88.8 7.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 11.4 tppt? -123.04 -63.79 1.23 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 23.3 t -115.54 140.62 49.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.883 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -85.2 -46.41 11.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.932 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . 0.45 ' CE1' ' HA ' ' A' ' 110' ' ' LYS . 75.8 t80 -61.17 -59.53 5.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.929 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' CYS . . . . . 0.488 ' SG ' ' N ' ' A' ' 115' ' ' CYS . 99.3 m -52.08 -57.73 8.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.911 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 7.0 tpt180 -39.87 -48.45 2.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.837 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 40.4 t80 -69.32 -56.33 7.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 16.5 mm-40 -44.71 -53.0 7.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.93 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 51.6 tttt -43.4 -51.86 6.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.867 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 12.1 m -51.34 -52.76 42.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.858 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 47.7 mt -50.07 -49.21 52.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.13 -38.28 88.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.064 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.403 ' HB3' ' CG2' ' A' ' 88' ' ' VAL . 59.2 mt -58.99 -29.81 67.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.897 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 118.34 29.27 1.97 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.523 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' MET . . . . . 0.452 ' HE2' ' CG1' ' A' ' 88' ' ' VAL . 6.5 mtt -79.88 176.66 9.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.795 0.331 . . . . 0.0 110.875 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 12.9 t -156.94 147.62 21.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 50.0 p-80 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.856 179.988 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.448 ' O ' ' C ' ' A' ' 66' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 65' ' ' GLY . 84.1 p 34.68 42.09 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.92 0.39 . . . . 0.0 110.857 -179.75 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 89.9 p -93.31 170.32 9.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.839 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -50.2 177.25 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.481 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.8 m -143.63 136.37 27.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.899 0.381 . . . . 0.0 110.847 -179.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 42.7 p -124.2 86.65 2.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.851 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 177.16 -150.42 10.19 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.446 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 9.6 mmt -99.4 144.01 29.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.733 0.301 . . . . 0.0 110.873 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -129.57 143.7 50.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.917 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 48.4 t -48.46 149.01 1.74 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.836 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 23.4 mmm180 -100.29 -24.02 14.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.891 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 72.1 t -75.0 -59.6 3.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.165 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.414 ' SG ' ' N ' ' A' ' 78' ' ' GLY . 20.1 p -101.46 -45.86 5.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.414 ' N ' ' SG ' ' A' ' 77' ' ' CYS . . . 130.82 -39.57 1.77 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.513 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' ' 80' ' ' LYS . 36.6 t0 -45.06 150.47 0.39 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.884 0.374 . . . . 0.0 110.85 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 79' ' ' ASP . 24.3 mtmt -36.16 133.63 0.46 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -92.47 147.18 23.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.088 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 9.2 t -77.36 -30.62 53.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 156.07 -166.12 32.94 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.454 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.556 ' CZ ' ' HA2' ' A' ' 87' ' ' GLY . 3.4 t80 -66.92 118.05 9.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.888 0.375 . . . . 0.0 110.87 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.458 ' CD2' ' HD3' ' A' ' 95' ' ' LYS . 42.7 m-70 -139.8 110.82 6.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.84 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.431 ' CE1' HD12 ' A' ' 143' ' ' ILE . 64.6 m-85 63.56 31.4 14.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.937 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.556 ' HA2' ' CZ ' ' A' ' 84' ' ' PHE . . . 88.97 -38.45 3.21 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.489 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 8.9 p -98.56 135.91 31.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.875 0.369 . . . . 0.0 111.122 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 49.0 m80 -73.37 91.48 1.74 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -105.49 163.18 12.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.118 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 22.4 p -92.85 173.32 7.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.854 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -56.01 -50.33 71.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -53.25 -70.35 0.95 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.535 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 83.8 m -47.25 -61.94 1.66 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.937 0.399 . . . . 0.0 110.928 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.458 ' HD3' ' CD2' ' A' ' 85' ' ' HIS . 34.6 ttpt -37.67 -56.4 1.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -47.99 -50.51 21.27 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.469 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.482 ' CG ' ' HD3' ' A' ' 129' ' ' ARG . 78.8 t80 -54.67 -56.06 23.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.863 0.363 . . . . 0.0 110.892 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -48.89 -71.51 0.07 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 30.2 ttm180 -41.05 -49.06 3.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 28.7 ttt-85 -53.28 -51.05 63.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.864 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 85.1 m -57.47 -25.98 60.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.107 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 29.8 mm -84.3 -65.34 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.121 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -50.16 -35.08 24.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.866 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 16.2 mtp -90.17 -18.64 25.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 43.7 mttp 57.43 42.72 24.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 26.6 mt -79.58 143.68 34.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.936 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -107.07 167.57 9.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -147.8 154.42 40.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.939 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -79.69 139.91 37.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.436 ' HA ' ' CZ ' ' A' ' 127' ' ' TYR . 35.7 ttpt -58.17 114.67 2.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 43.8 t -93.93 95.37 9.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 114' ' ' SER . 19.6 mp0 -55.75 -45.38 78.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 40.0 mtt-85 -38.56 -30.27 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 112' ' ' GLU . 46.6 m 54.58 50.38 16.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.841 -179.802 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 6.0 m -45.41 169.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.893 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 61.6 tttt -121.18 109.33 14.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.837 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 23.4 mm -63.06 111.89 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -126.08 160.92 28.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.925 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 7.1 pttp -59.65 -55.6 32.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.433 ' HG3' ' N ' ' A' ' 121' ' ' ASN . 0.1 OUTLIER -48.32 -39.86 23.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 179.875 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . 0.433 ' N ' ' HG3' ' A' ' 120' ' ' LYS . 24.3 m-80 -132.73 85.15 2.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . 0.429 ' HB2' ' NH1' ' A' ' 122' ' ' ARG . 20.9 mtm105 -89.27 -51.22 5.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 27.6 t30 -79.71 48.98 0.99 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 32.7 tptt -96.31 -64.65 1.03 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 49.2 t -115.03 144.58 43.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -88.35 -64.4 1.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . 0.529 ' CE2' ' HG3' ' A' ' 131' ' ' GLN . 76.2 t80 -44.4 -64.03 0.77 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.982 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 59.2 m -45.03 -46.42 11.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.911 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.482 ' HD3' ' CG ' ' A' ' 97' ' ' PHE . 16.8 ttm180 -53.42 -59.36 4.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -56.96 -39.18 74.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.82 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . 0.529 ' HG3' ' CE2' ' A' ' 127' ' ' TYR . 14.1 mm-40 -61.05 -55.08 36.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.922 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 58.1 tttt -45.31 -43.23 10.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.896 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 57.8 m -57.18 -46.98 82.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.903 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 29.5 mt -64.76 -45.84 84.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -54.88 -43.39 73.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.076 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 34.0 mt -63.03 -29.66 70.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 109.48 41.36 1.37 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.475 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 2.9 mtt -75.39 116.14 15.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.8 0.333 . . . . 0.0 110.878 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 1.6 t -65.91 117.23 8.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 22.0 p-80 -88.66 -27.06 21.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.859 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -85.45 39.58 0.79 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.836 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -127.33 -27.13 2.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.103 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' ILE . . . . . 0.431 HD12 ' CE1' ' A' ' 86' ' ' TYR . 26.6 mm -44.23 -41.66 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.151 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 18.2 tpt85 -76.06 84.93 2.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' PHE . . . . . . . . . . . . . 38.6 t80 -157.99 115.25 2.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 49.76 81.64 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.477 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 28.6 p -131.61 155.09 48.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.899 0.38 . . . . 0.0 110.889 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -61.55 145.83 48.68 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.488 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 109.83 2.41 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.708 2.272 . . . . 0.0 112.377 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 64.9 m -115.87 152.49 33.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.828 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 80.0 p -41.32 108.04 0.08 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.832 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.469 -179.968 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.501 -0.239 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 37.2 m -137.62 154.48 49.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.87 0.367 . . . . 0.0 110.885 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.0 m -101.2 41.75 1.17 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.801 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 145.03 -157.82 27.45 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.485 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 67.0 p -66.99 162.08 22.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.807 0.337 . . . . 0.0 110.878 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 36.1 t -88.77 142.91 27.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.814 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -138.52 -138.74 3.73 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.505 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 3.6 mpp? -41.38 128.33 3.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.748 0.309 . . . . 0.0 110.862 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -144.33 126.39 15.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.906 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 19.6 t -45.11 149.39 0.48 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.88 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 38.0 mmt-85 -99.82 -29.46 12.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 59.2 t -68.45 -50.69 54.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.097 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 30.6 p -104.21 -46.83 4.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.825 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 122.98 -33.52 4.03 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.506 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -49.45 173.18 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.943 0.401 . . . . 0.0 110.836 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 5.9 ttmt -66.86 112.32 4.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.89 176.1 0.33 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.126 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 53.3 p -123.42 -41.71 2.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.811 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -149.52 170.82 29.71 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.449 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.493 ' CE2' ' HA2' ' A' ' 87' ' ' GLY . 9.8 t80 -99.88 89.12 3.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.929 0.395 . . . . 0.0 110.912 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 24.9 m-70 -105.94 143.8 33.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.848 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 60.45 26.51 16.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.896 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.493 ' HA2' ' CE2' ' A' ' 84' ' ' PHE . . . 63.18 22.29 64.96 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.463 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.438 ' CG1' ' HE1' ' A' ' 138' ' ' MET . 12.0 p -139.05 125.57 24.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.827 0.346 . . . . 0.0 111.174 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 35.0 m80 -56.64 96.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.89 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -122.01 156.77 32.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.065 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 17.9 p -96.8 156.36 16.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.467 ' HG3' ' N ' ' A' ' 93' ' ' GLY . 11.6 pt-20 -41.85 -44.84 3.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.467 ' N ' ' HG3' ' A' ' 92' ' ' GLU . . . -55.93 -72.54 0.55 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.538 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . 0.436 ' O ' ' C ' ' A' ' 95' ' ' LYS . 67.4 m -52.9 -56.35 16.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.863 0.363 . . . . 0.0 110.846 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 94' ' ' CYS . 0.7 OUTLIER -35.42 -51.73 0.61 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -61.12 -48.06 87.88 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.491 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -44.77 -65.9 0.47 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.926 0.393 . . . . 0.0 110.899 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -41.0 -66.24 0.35 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.839 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 23.9 ttm180 -46.23 -60.48 2.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.841 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 41.3 ttm-85 -39.91 -51.57 2.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.466 ' O ' ' N ' ' A' ' 105' ' ' LYS . 38.9 m -56.8 -39.19 73.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.164 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 21.6 mm -71.43 -58.5 5.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.132 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 2.6 ptp180 -57.6 -30.22 65.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.864 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 39.3 mtp -104.05 0.86 30.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.466 ' N ' ' O ' ' A' ' 101' ' ' THR . 0.1 OUTLIER 41.65 35.12 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.92 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 22.6 mt -57.61 126.68 28.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.926 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -99.09 134.73 41.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -115.91 168.94 9.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.919 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -89.98 130.13 36.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.89 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.497 ' HA ' ' CE2' ' A' ' 127' ' ' TYR . 28.1 tttp -48.69 124.17 7.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.879 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 30.0 t -117.88 98.36 6.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.446 ' O ' ' C ' ' A' ' 113' ' ' ARG . 9.8 mt-10 -64.68 -42.04 95.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.446 ' C ' ' O ' ' A' ' 112' ' ' GLU . 86.8 mtm-85 -34.58 -43.04 0.16 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 115' ' ' CYS . 7.6 t 72.8 39.77 0.64 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 -179.793 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . 0.411 ' C ' ' O ' ' A' ' 114' ' ' SER . 7.2 m -37.04 149.01 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.849 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 1.3 mmmm -103.31 110.84 22.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 9.9 mm -64.15 107.57 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.089 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 21.4 mm-40 -110.99 165.98 11.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.954 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 26.1 ttpp -60.64 -50.14 74.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 32.8 mmtm -58.74 -50.25 74.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 -117.46 80.08 1.44 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 30.4 ptt180 -88.74 -41.38 12.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 43.9 m-20 -88.89 39.84 0.95 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 44.7 tptt -82.26 -65.88 0.96 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 20.4 t -112.49 131.94 55.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -77.83 -54.91 5.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.921 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . 0.497 ' CE2' ' HA ' ' A' ' 110' ' ' LYS . 38.0 t80 -50.3 -65.6 0.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 59.2 m -46.51 -48.82 19.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.915 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 53.0 ttt180 -46.11 -44.46 15.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.439 ' CD2' HG23 ' A' ' 101' ' ' THR . 23.9 t80 -71.49 -52.31 19.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 21.1 mm100 -46.2 -52.21 12.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.935 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 32.1 tttp -44.75 -50.64 9.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 99.5 m -48.83 -54.54 14.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.896 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 93.4 mt -49.1 -52.42 26.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -57.67 -41.96 82.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.149 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 75.8 mt -58.32 -27.6 64.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 107.37 29.44 4.49 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.477 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' MET . . . . . 0.438 ' HE1' ' CG1' ' A' ' 88' ' ' VAL . 9.3 mtt -75.65 116.52 16.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.793 0.33 . . . . 0.0 110.867 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 17.7 m -73.56 106.08 5.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 35.6 p-80 -71.61 -41.0 69.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.847 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -79.58 44.54 0.62 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -124.19 -33.04 3.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.148 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' ILE . . . . . . . . . . . . . 22.6 mt -57.1 115.81 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.128 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 11.8 tpp180 -65.69 138.85 58.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.839 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -67.3 125.43 26.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -93.3 63.07 2.04 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.455 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 35.7 t -70.52 118.08 12.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.911 0.386 . . . . 0.0 110.853 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -53.21 165.86 1.66 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.483 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 88.67 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.674 2.249 . . . . 0.0 112.351 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 56.2 m 59.23 41.58 19.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 18.9 m -100.14 155.62 17.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.817 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.503 179.982 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 12.6 t -81.61 120.41 25.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.847 0.356 . . . . 0.0 110.869 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 68.8 m -38.64 -47.9 1.39 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.886 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 125.29 -80.72 0.36 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.48 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.1 t -89.23 102.15 14.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.861 0.362 . . . . 0.0 110.89 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 37.7 t -84.04 98.9 10.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.846 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 139.98 159.09 7.84 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.476 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.458 ' O ' ' N ' ' A' ' 81' ' ' ALA . 18.3 mtm 60.06 51.72 5.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.789 0.328 . . . . 0.0 110.875 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 74' ' ' CYS . 6.2 pt-20 -102.84 119.97 39.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . 0.404 ' C ' ' O ' ' A' ' 73' ' ' GLU . 22.7 t -37.99 145.3 0.07 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.889 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 38.5 mmm-85 -96.55 -13.78 22.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 93.6 t -86.06 -56.71 5.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.114 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 31.5 p -96.89 -43.59 7.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 120.3 -30.03 5.74 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.502 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -51.19 174.73 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.92 0.39 . . . . 0.0 110.847 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 10.3 ttpt -69.19 110.75 4.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 72' ' ' MET . . . -54.98 178.6 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.08 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.9 m -119.58 -33.11 4.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.874 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -166.5 -151.22 6.7 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.483 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.479 ' CZ ' ' HA2' ' A' ' 87' ' ' GLY . 2.2 t80 -122.44 119.37 30.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.889 0.376 . . . . 0.0 110.866 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 33.5 m-70 -145.87 150.29 35.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.818 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 53.9 35.48 21.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.479 ' HA2' ' CZ ' ' A' ' 84' ' ' PHE . . . 58.05 12.56 11.74 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.449 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 11.0 p -137.62 131.99 44.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.902 0.382 . . . . 0.0 111.084 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 46.6 m80 -64.83 96.53 0.19 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.836 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -115.83 158.0 23.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.093 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 15.5 p -94.8 161.65 14.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.838 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -47.34 -57.37 5.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.9 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -45.63 -72.6 0.36 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.447 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . 0.413 ' O ' ' C ' ' A' ' 95' ' ' LYS . 92.7 m -45.06 -52.67 8.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.872 0.367 . . . . 0.0 110.87 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 94' ' ' CYS . 40.6 tttm -36.75 -57.76 0.78 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -54.45 -46.27 73.53 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.497 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -51.97 -67.73 0.23 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.871 0.367 . . . . 0.0 110.867 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.429 ' CZ ' ' HB3' ' A' ' 138' ' ' MET . 69.6 t80 -43.27 -66.59 0.36 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 66.7 ttt-85 -44.06 -61.64 1.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 17.8 ttp180 -46.16 -49.29 17.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 61.1 m -55.79 -27.81 52.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.123 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 47.4 mm -82.37 -61.2 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.164 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.439 ' HD3' ' CG ' ' A' ' 104' ' ' MET . 0.4 OUTLIER -56.54 -23.63 41.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 179.94 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' MET . . . . . 0.439 ' CG ' ' HD3' ' A' ' 103' ' ' ARG . 13.1 mtp -97.89 -5.05 35.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 40.37 37.9 0.49 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.905 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.411 ' HG ' ' CB ' ' A' ' 104' ' ' MET . 11.3 mt -67.42 134.77 52.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 55.4 tt0 -95.3 147.91 22.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -128.33 168.63 15.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.877 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -96.13 137.55 35.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.937 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 44.4 tttm -56.46 123.59 15.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 38.2 t -115.43 99.93 7.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.899 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -66.11 -37.56 86.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 73.8 mtt180 -45.05 -24.0 0.2 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.856 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 115' ' ' CYS . 54.1 m 48.38 45.3 20.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.753 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . 0.402 ' C ' ' O ' ' A' ' 114' ' ' SER . 8.5 m -37.51 154.05 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.862 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 24.2 tttp -100.83 113.47 26.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.915 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 9.7 mm -71.01 95.15 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.082 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -97.58 161.14 13.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 13.7 ptpt -62.22 -33.66 75.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 9.6 ptmt -90.27 -26.77 19.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.944 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . 0.418 ' ND2' ' HD2' ' A' ' 124' ' ' LYS . 10.5 m120 -118.99 53.35 1.01 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . 0.421 ' HG3' ' N ' ' A' ' 123' ' ' ASN . 36.1 ptt180 -85.37 -43.15 13.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . 0.421 ' N ' ' HG3' ' A' ' 122' ' ' ARG . 23.2 m120 -83.88 53.44 2.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.905 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . 0.418 ' HD2' ' ND2' ' A' ' 121' ' ' ASN . 16.5 mtpt -113.11 -64.12 1.35 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.93 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 48.3 t -112.39 136.41 51.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -82.52 -59.72 2.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.967 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -44.88 -70.3 0.11 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 82.2 m -41.27 -38.9 1.24 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.925 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 23.7 ttt85 -55.91 -54.84 39.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.871 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.454 ' CE2' HD13 ' A' ' 134' ' ' LEU . 52.3 t80 -63.45 -50.16 70.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -47.59 -52.31 18.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 17.9 tttp -47.13 -45.08 22.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 81.6 m -55.89 -54.25 46.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . 0.454 HD13 ' CE2' ' A' ' 130' ' ' PHE . 69.0 mt -56.2 -45.26 79.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -58.89 -42.91 90.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.071 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 76.6 mt -58.17 -29.51 65.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 114.02 26.84 3.66 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.505 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' MET . . . . . 0.429 ' HB3' ' CZ ' ' A' ' 98' ' ' PHE . 5.2 mtt -69.07 126.16 28.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.748 0.308 . . . . 0.0 110.93 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 12.5 t -93.18 123.74 36.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.877 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 41.0 p-80 -85.04 42.93 0.96 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 34.9 t30 -123.03 -49.17 1.97 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -39.53 -38.05 0.55 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.112 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' ILE . . . . . . . . . . . . . 62.5 mt -55.36 -60.1 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.1 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 4.1 ptp180 -96.95 71.87 2.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -153.7 145.66 23.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 119.45 80.03 0.64 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.44 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 48.2 t -133.01 -48.41 0.86 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.935 0.398 . . . . 0.0 110.861 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 134.83 -153.4 21.08 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.472 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 2.38 3.63 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.682 2.254 . . . . 0.0 112.355 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 34.2 t -115.62 166.46 11.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 83.7 p -126.18 -47.77 1.61 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.845 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.473 -179.984 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.4 m -78.37 151.54 32.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.894 0.378 . . . . 0.0 110.86 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 18.3 m -52.0 111.14 0.56 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.798 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -145.58 -122.0 1.45 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.508 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 12.2 t -82.87 44.32 0.91 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.836 0.351 . . . . 0.0 110.88 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.8 m -85.75 129.08 34.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.812 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -69.72 -123.53 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.489 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.416 ' HG2' ' NE2' ' A' ' 89' ' ' HIS . 0.3 OUTLIER -66.38 147.92 52.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.713 0.292 . . . . 0.0 110.88 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -137.4 135.65 37.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.908 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 45.5 t -46.13 148.74 0.8 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -97.56 -29.18 13.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.922 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.457 HG22 ' CD1' ' A' ' 136' ' ' LEU . 69.0 t -70.85 -63.4 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.117 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.418 ' SG ' ' N ' ' A' ' 78' ' ' GLY . 18.6 p -93.78 -45.42 7.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.842 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.418 ' N ' ' SG ' ' A' ' 77' ' ' CYS . . . 125.32 -40.3 1.9 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.511 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.446 ' O ' ' C ' ' A' ' 80' ' ' LYS . 21.4 t70 -41.95 154.3 0.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.838 0.351 . . . . 0.0 110.899 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 79' ' ' ASP . 0.6 OUTLIER -34.0 143.06 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -92.87 143.05 26.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.133 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 32.2 t -86.35 -56.9 3.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.913 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -150.48 -149.23 4.97 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.505 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.472 ' CE2' ' HA2' ' A' ' 87' ' ' GLY . 21.1 t80 -123.28 93.32 3.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.921 0.391 . . . . 0.0 110.881 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 50.6 m-70 -114.81 144.4 43.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.895 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 57.18 30.05 17.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.946 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.472 ' HA2' ' CE2' ' A' ' 84' ' ' PHE . . . 62.64 17.4 57.41 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.49 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 4.3 p -139.47 136.12 40.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.887 0.375 . . . . 0.0 111.138 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.416 ' NE2' ' HG2' ' A' ' 72' ' ' MET . 32.4 m80 -68.54 97.5 0.78 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -119.12 158.69 25.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.084 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . 0.446 ' O ' ' CB ' ' A' ' 95' ' ' LYS . 20.2 p -95.14 176.42 6.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.879 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 26.8 mp0 -57.0 -50.49 72.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -53.41 -70.46 0.92 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.479 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 57.1 m -53.91 -43.42 69.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.935 0.397 . . . . 0.0 110.881 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.446 ' CB ' ' O ' ' A' ' 91' ' ' CYS . 58.1 tttt -44.7 -47.96 10.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.932 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -72.87 -47.39 25.64 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.44 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.494 ' CE2' ' HG2' ' A' ' 129' ' ' ARG . 24.2 t80 -42.81 -57.78 2.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.913 0.387 . . . . 0.0 110.881 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 79.6 t80 -52.53 -61.65 2.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.452 ' HG3' ' CD1' ' A' ' 143' ' ' ILE . 54.9 ttt180 -47.66 -62.19 1.57 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.866 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 24.6 ttt180 -44.11 -52.16 7.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.837 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 62.9 m -53.31 -31.53 44.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.102 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 25.6 mm -80.09 -64.27 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.158 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -52.64 -25.62 11.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.887 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 4.3 mtp -94.31 -23.83 17.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.868 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 18.5 mmmt 62.01 38.33 14.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 15.3 mt -78.85 140.15 38.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -123.92 151.25 43.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -126.76 178.7 5.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.968 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.77 147.23 23.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.89 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 19.9 tttm -57.75 121.98 11.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.935 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 47.1 t -102.99 104.23 14.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.847 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -66.96 -43.08 84.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 50.7 mtp180 -43.01 -28.34 0.26 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.858 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 46.1 m 52.8 48.12 23.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . 0.441 ' N ' ' SG ' ' A' ' 128' ' ' CYS . 5.6 m -40.57 146.27 0.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.868 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 48.2 mtpt -97.43 108.83 21.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 29.1 mm -64.26 90.02 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.106 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -104.0 148.79 25.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 10.3 ptpt -47.46 -46.37 26.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 13.7 ptpt -53.13 -50.06 65.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -128.57 79.14 1.89 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 27.6 ptt-85 -88.22 -31.13 19.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -94.99 45.33 1.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 8.3 tmtm? -95.18 -62.38 1.32 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 46.7 t -114.62 149.06 37.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.859 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -88.49 -65.92 0.97 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -39.86 -59.41 1.19 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . 0.441 ' SG ' ' N ' ' A' ' 115' ' ' CYS . 67.9 m -50.23 -42.67 52.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.841 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.494 ' HG2' ' CE2' ' A' ' 97' ' ' PHE . 6.6 ttp180 -56.65 -63.38 1.22 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -51.43 -51.3 56.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -45.71 -53.46 9.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.934 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 48.2 tttt -46.08 -48.81 17.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 89.4 m -51.99 -53.2 44.45 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.876 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 92.6 mt -50.19 -50.47 49.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.937 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.01 -37.1 85.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.091 179.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.457 ' CD1' HG22 ' A' ' 76' ' ' VAL . 78.7 mt -59.39 -27.18 65.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.898 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 107.11 21.07 8.28 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.506 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 9.6 mtt -68.89 110.0 4.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.814 0.34 . . . . 0.0 110.87 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 15.9 m -82.98 132.95 35.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -72.69 -52.99 12.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 36.5 t-20 -40.72 -30.68 0.13 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . 0.452 ' O ' ' C ' ' A' ' 143' ' ' ILE . . . -52.12 -44.67 64.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.089 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' ILE . . . . . 0.452 ' CD1' ' HG3' ' A' ' 99' ' ' ARG . 7.4 mm -33.79 102.95 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.161 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 2.2 ptt-85 -149.35 151.52 34.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -113.33 82.5 1.68 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 54.97 -177.01 0.42 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.461 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 28.9 t -83.94 -54.8 4.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.902 0.382 . . . . 0.0 110.87 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 163.3 99.44 0.14 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.501 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -0.07 6.34 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.644 2.23 . . . . 0.0 112.335 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 88.8 p -88.44 -46.01 9.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.823 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 1.3 t -71.33 -59.44 2.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.882 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.262 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.458 -179.974 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.496 -0.241 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.5 t -99.04 111.12 23.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.915 0.388 . . . . 0.0 110.902 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 43.8 t -96.06 108.85 21.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.855 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -170.29 -134.73 1.79 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.556 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 51.5 p -166.38 161.18 16.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.913 0.387 . . . . 0.0 110.843 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 28.1 p -164.22 157.77 18.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.855 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -120.68 47.83 0.99 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.477 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 1.1 tpt -128.77 123.65 33.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.764 0.316 . . . . 0.0 110.892 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -133.14 131.47 40.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 47.6 t -47.25 126.89 10.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.928 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 10.9 mmt85 -85.76 26.59 0.95 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 98.9 t -128.64 -43.42 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.122 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.404 ' SG ' ' N ' ' A' ' 78' ' ' GLY . 22.2 p -120.24 -46.44 2.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.404 ' N ' ' SG ' ' A' ' 77' ' ' CYS . . . 134.43 -37.06 2.0 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.481 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -51.4 157.35 1.03 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.887 0.375 . . . . 0.0 110.837 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 23.3 tttt -40.09 133.05 1.78 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.451 ' O ' ' C ' ' A' ' 82' ' ' SER . . . -87.71 101.66 13.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.076 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 81' ' ' ALA . 10.6 t -34.26 -54.38 0.51 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 173.21 -146.21 8.83 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.438 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.563 ' CZ ' ' HA2' ' A' ' 87' ' ' GLY . 91.5 t80 -85.28 123.48 30.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.915 0.388 . . . . 0.0 110.883 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 22.2 m-70 -152.7 131.76 12.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 54.01 25.56 5.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.909 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.563 ' HA2' ' CZ ' ' A' ' 84' ' ' PHE . . . 83.88 -22.23 8.35 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.468 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.411 ' CG1' ' HG2' ' A' ' 138' ' ' MET . 11.6 p -108.19 133.9 51.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.844 0.354 . . . . 0.0 111.157 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 33.0 m80 -72.18 85.41 1.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -107.48 173.27 6.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.121 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 20.3 p -99.09 155.82 17.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -49.4 -27.4 4.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.926 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -72.45 -36.46 59.13 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.519 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 68.3 m -85.54 -35.72 20.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.877 0.37 . . . . 0.0 110.857 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -49.63 -46.62 49.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -61.83 -52.61 49.29 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.511 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -42.0 -67.22 0.28 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.922 0.391 . . . . 0.0 110.877 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -38.51 -68.94 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.899 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.402 ' NH1' HD12 ' A' ' 143' ' ' ILE . 14.6 ttt85 -41.17 -65.28 0.45 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.841 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 58.4 ttt180 -39.54 -52.75 2.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.454 ' O ' ' N ' ' A' ' 105' ' ' LYS . 27.5 m -51.24 -45.23 61.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.122 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 25.1 mm -67.09 -64.71 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 2.0 ptp180 -49.93 -29.05 7.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.847 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 14.5 mtp -96.32 -15.37 21.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 101' ' ' THR . 23.7 mmmt 50.63 42.8 27.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.884 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 33.7 mt -70.51 118.01 12.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -92.26 133.57 35.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -118.94 172.08 7.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.949 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.42 ' HG2' ' N ' ' A' ' 110' ' ' LYS . 22.4 tt0 -95.3 146.83 24.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.42 ' N ' ' HG2' ' A' ' 109' ' ' GLU . 11.5 tppt? -59.65 125.92 25.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.857 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 48.5 t -112.7 100.65 8.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -67.75 -30.43 69.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 21.8 mmt180 -51.09 -20.34 1.42 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.893 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 115' ' ' CYS . 1.8 m 46.3 47.2 13.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.847 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . 0.418 ' C ' ' O ' ' A' ' 114' ' ' SER . 14.5 m -37.12 152.78 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.904 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 7.5 mtpm? -99.49 101.82 13.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 39.5 mm -65.91 109.73 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.158 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -119.68 166.51 13.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 12.3 ptpt -69.63 -20.79 63.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.869 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 10.3 tppt? -77.94 -42.69 32.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.918 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -133.99 66.41 1.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.881 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 21.2 ptt180 -76.37 -22.7 54.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 -100.38 47.8 0.93 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.853 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 6.0 tptm -100.52 -57.33 2.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 30.8 t -117.19 143.67 45.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -86.55 -59.99 2.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 49.8 t80 -45.82 -71.14 0.08 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 93.4 m -39.58 -51.86 2.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.867 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 53.2 ttt180 -47.58 -49.72 25.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -69.6 -41.8 75.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -56.27 -59.36 5.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.936 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 24.9 tttp -40.71 -49.53 3.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.863 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 37.8 m -53.14 -51.53 61.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.873 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 25.9 mt -53.99 -56.19 20.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.956 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -49.69 -36.88 26.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.039 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 84.1 mt -68.3 -25.06 64.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.943 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . 0.443 ' O ' ' C ' ' A' ' 138' ' ' MET . . . 121.08 -12.68 9.77 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.457 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' MET . . . . . 0.443 ' C ' ' O ' ' A' ' 137' ' ' GLY . 2.4 mmt -34.16 126.88 0.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.786 0.327 . . . . 0.0 110.884 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 78.5 p -114.61 129.49 56.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -93.73 21.7 6.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.85 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -97.07 -31.5 12.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -60.18 -25.38 65.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.088 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' ILE . . . . . 0.402 HD12 ' NH1' ' A' ' 99' ' ' ARG . 50.4 mm -47.63 -57.75 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.131 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 50.4 ttt180 -164.35 128.92 2.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' PHE . . . . . 0.443 ' CD1' ' O ' ' A' ' 145' ' ' PHE . 7.1 p90 -122.33 130.91 53.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -162.0 142.69 8.17 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.497 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 72.0 p -119.39 129.39 54.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.933 0.397 . . . . 0.0 110.873 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -114.1 170.99 13.54 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.487 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.81 -30.08 22.61 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.71 2.274 . . . . 0.0 112.282 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 10.8 t -71.58 83.5 0.84 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.835 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 58.2 p -55.29 159.64 2.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.845 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.472 -179.985 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 86.5 p -48.82 120.89 4.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.86 0.362 . . . . 0.0 110.837 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 25.4 m -83.21 42.68 0.83 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -65.75 -139.04 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.503 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 97.3 p -135.28 160.22 39.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.85 0.357 . . . . 0.0 110.885 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 86.2 p -68.4 106.82 2.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.83 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -92.56 -122.24 3.07 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.512 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 23.2 mtm -95.87 107.57 19.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.765 0.317 . . . . 0.0 110.851 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -129.29 139.64 51.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . 0.429 ' SG ' ' HB ' ' A' ' 76' ' ' VAL . 42.9 t -65.0 116.69 6.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -58.05 -27.08 63.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.429 ' HB ' ' SG ' ' A' ' 74' ' ' CYS . 15.6 t -69.19 -71.56 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.098 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 31.8 p -96.6 -47.81 5.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 131.91 -36.41 2.22 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.515 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -39.75 158.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.907 0.384 . . . . 0.0 110.839 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 18.5 mttm -42.32 126.11 3.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -77.5 111.84 13.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.126 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 39.0 t -54.72 -55.45 29.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.796 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -158.33 -138.75 2.55 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.457 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -124.93 91.79 3.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.884 0.374 . . . . 0.0 110.857 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 45.7 m-70 -106.32 141.3 37.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.854 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 42.1 m-85 54.77 41.96 31.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.905 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 54.84 21.45 23.13 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.488 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.407 HG21 ' N ' ' A' ' 89' ' ' HIS . 6.6 p -140.54 136.3 35.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.851 0.358 . . . . 0.0 111.092 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.407 ' N ' HG21 ' A' ' 88' ' ' VAL . 38.9 m80 -70.93 87.78 0.73 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.826 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -116.62 171.6 7.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.143 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 16.4 p -104.04 172.37 6.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.869 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -61.6 -50.83 71.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -46.86 -47.59 19.03 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.509 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 99.8 m -74.81 -49.79 19.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.908 0.385 . . . . 0.0 110.869 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 21.1 tttp -42.85 -60.31 1.64 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -53.86 -40.96 66.12 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.489 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -59.75 -55.57 32.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.834 0.349 . . . . 0.0 110.875 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -51.3 -54.87 21.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 15.7 ttm180 -56.97 -58.53 7.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.852 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 14.4 ttt180 -42.58 -48.49 5.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.439 ' O ' ' N ' ' A' ' 105' ' ' LYS . 47.3 m -57.1 -42.82 81.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.157 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 48.0 mm -66.65 -63.91 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.112 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 29.1 ptt85 -51.01 -40.42 58.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.81 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 62.8 mtp -84.82 -15.98 42.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.876 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 101' ' ' THR . 15.6 mmtp 53.59 47.34 24.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 24.7 mt -77.48 123.8 27.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -93.82 136.63 33.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.873 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -117.36 158.46 24.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.955 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -85.04 119.34 25.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.909 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.554 ' HA ' ' CE2' ' A' ' 127' ' ' TYR . 2.4 tmmm? -40.24 117.98 0.85 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.879 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 45.9 t -102.27 93.53 5.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 113' ' ' ARG . 39.3 mt-10 -53.58 -46.58 70.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.862 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 112' ' ' GLU . 65.1 mmt-85 -35.07 -40.45 0.12 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.855 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 9.1 t 66.26 45.03 2.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.873 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 9.0 m -37.9 146.51 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.855 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 60.7 mmtt -91.33 109.19 20.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 38.0 mm -66.55 109.17 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.142 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -118.55 161.65 19.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.437 ' HG3' ' N ' ' A' ' 120' ' ' LYS . 12.7 ptmm? -67.8 -42.72 81.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.437 ' N ' ' HG3' ' A' ' 119' ' ' LYS . 0.0 OUTLIER -54.97 -48.32 73.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.932 179.843 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 67.8 m-20 -131.11 81.44 1.99 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.9 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 28.7 ptt180 -87.72 -31.01 19.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -85.22 47.28 1.39 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.906 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 19.1 ttpp -99.96 -62.22 1.27 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 10.9 t -116.89 142.77 46.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.897 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 16.7 mp0 -88.06 -54.51 4.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.933 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . 0.554 ' CE2' ' HA ' ' A' ' 110' ' ' LYS . 64.5 t80 -52.67 -58.03 8.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.915 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 65.7 m -51.35 -48.69 62.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.894 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 6.7 tpp85 -53.19 -54.45 35.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -61.59 -58.51 7.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.884 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . 0.505 ' HG3' ' CE1' ' A' ' 127' ' ' TYR . 7.3 mm100 -41.45 -47.55 3.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.935 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 25.1 tttp -49.96 -54.86 17.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.879 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 92.1 m -45.12 -48.88 12.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 66.1 mt -54.34 -49.36 69.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.02 -35.84 81.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.107 179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 89.3 mt -61.64 -26.56 68.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 107.76 29.68 4.3 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.499 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 3.7 mtt -75.14 105.31 6.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.758 0.314 . . . . 0.0 110.902 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' SER . . . . . 0.434 ' HB2' ' ND2' ' A' ' 141' ' ' ASN . 55.3 p -68.94 115.9 8.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.858 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . 0.467 ' CG ' ' N ' ' A' ' 141' ' ' ASN . 23.8 p-80 -70.69 -46.62 62.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . 0.467 ' N ' ' CG ' ' A' ' 140' ' ' HIS . 7.2 p30 -41.04 -47.75 3.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.881 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 141' ' ' ASN . . . -35.23 -42.9 0.2 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.095 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' ILE . . . . . . . . . . . . . 21.8 mt -70.41 -62.95 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.132 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 9.1 mmm180 -43.87 119.25 1.66 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -130.89 150.12 52.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -146.57 -100.55 0.27 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.476 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 52.2 p -80.25 -48.53 12.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.948 0.404 . . . . 0.0 110.881 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 135.26 151.01 6.14 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.48 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -11.56 31.09 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.706 2.271 . . . . 0.0 112.391 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 36.3 m -90.18 169.99 10.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 152' ' ' GLY . 24.9 t -55.27 145.66 21.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.891 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 151' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.483 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.543 -0.223 . . . . 0.0 112.543 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 40.2 t -119.31 142.11 48.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.88 0.371 . . . . 0.0 110.86 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 66.1 p -59.84 124.02 18.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.829 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -62.6 -144.85 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.501 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 37.5 p -123.02 156.98 33.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.814 0.34 . . . . 0.0 110.884 -179.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 9.2 t -137.81 126.45 23.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 164.27 -43.67 0.31 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.54 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -125.73 132.66 52.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.721 0.296 . . . . 0.0 110.889 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -148.75 140.67 23.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . 0.511 ' O ' ' N ' ' A' ' 78' ' ' GLY . 41.7 t -64.72 110.47 2.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 39.3 mmt-85 -50.67 -33.88 24.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.926 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 10.8 t -62.6 -71.5 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.133 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 24.3 p -97.36 -45.88 6.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.854 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.511 ' N ' ' O ' ' A' ' 74' ' ' CYS . . . 128.48 -36.19 2.52 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.483 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.428 ' O ' ' C ' ' A' ' 80' ' ' LYS . 13.0 t0 -42.0 157.75 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.902 0.382 . . . . 0.0 110.834 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 79' ' ' ASP . 21.8 pttt -35.72 132.35 0.47 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.8 98.21 10.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.103 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 11.9 t -42.35 -50.81 5.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -167.03 -154.68 8.58 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.437 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -109.66 90.91 3.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.921 0.391 . . . . 0.0 110.911 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 68.2 m-70 -107.0 139.11 41.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 58.21 37.39 26.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.945 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 59.42 20.19 50.22 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.499 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 3.2 p -140.75 138.76 35.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.891 0.377 . . . . 0.0 111.079 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 8.2 m80 -71.84 90.73 1.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -116.58 171.52 7.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 18.9 p -102.65 170.25 8.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.878 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -58.78 -49.4 77.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -49.87 -72.39 0.49 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.519 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . 0.419 ' O ' ' C ' ' A' ' 95' ' ' LYS . 89.3 m -41.52 -55.45 2.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.897 0.379 . . . . 0.0 110.919 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 94' ' ' CYS . 12.3 ttmm -36.8 -51.07 0.88 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.924 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -55.83 -46.93 81.99 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.513 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.542 ' CE2' ' HG2' ' A' ' 129' ' ' ARG . 68.6 t80 -60.36 -55.68 30.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.859 0.361 . . . . 0.0 110.88 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.484 ' CZ ' ' HB3' ' A' ' 138' ' ' MET . 74.1 t80 -52.37 -61.16 2.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 28.9 ttm180 -52.46 -53.09 50.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 21.1 ttm180 -46.82 -47.78 21.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 27.8 m -61.04 -37.28 82.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.13 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 13.0 mm -72.46 -63.16 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.111 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 23.5 ptt180 -51.91 -38.5 56.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.938 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 41.5 mtp -88.03 -10.89 48.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.868 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 36.5 mtpt 49.57 49.22 20.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.936 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 47.8 mt -84.69 169.0 14.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -144.85 159.43 42.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.457 ' CD1' ' HB3' ' A' ' 126' ' ' GLN . 55.8 m-85 -140.12 170.71 15.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.931 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -77.84 135.61 37.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.916 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.491 ' HA ' ' CZ ' ' A' ' 127' ' ' TYR . 24.6 ttmt -55.1 137.72 45.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 49.0 t -125.05 112.13 16.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -75.69 -37.47 59.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 58.2 mtp85 -43.65 -25.02 0.14 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.869 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 115' ' ' CYS . 7.6 m 51.92 45.4 28.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.83 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . 0.409 ' C ' ' O ' ' A' ' 114' ' ' SER . 10.7 m -37.49 152.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 27.7 mttm -97.8 108.49 21.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 30.6 mm -70.21 109.55 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.152 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 65.0 mt-30 -123.47 161.16 25.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.9 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 16.2 ttpp -38.77 -50.96 1.71 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 35.9 mmtt -80.6 -47.93 13.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.921 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -82.86 44.54 0.93 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 32.1 ttp180 -83.12 -50.69 8.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.86 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -90.99 39.43 0.99 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 29.8 tttm -91.3 -56.98 2.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 33.5 t -117.07 145.47 43.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.877 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . 0.457 ' HB3' ' CD1' ' A' ' 108' ' ' TYR . 50.7 mt-30 -87.36 -52.38 5.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . 0.491 ' CZ ' ' HA ' ' A' ' 110' ' ' LYS . 13.6 t80 -58.13 -65.98 0.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 80.2 m -41.15 -42.71 2.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.912 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.542 ' HG2' ' CE2' ' A' ' 97' ' ' PHE . 19.4 ttt180 -55.9 -47.73 76.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.912 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -72.05 -44.54 63.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . 0.42 ' CG ' ' CE2' ' A' ' 127' ' ' TYR . 17.4 mm100 -55.05 -52.95 61.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.877 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 59.5 tttt -46.67 -60.62 2.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 34.2 m -42.32 -56.6 2.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 23.5 mt -56.54 -49.76 73.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -52.53 -36.66 55.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.114 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 81.0 mt -67.75 -24.06 65.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.97 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 104.89 28.64 5.54 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.47 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' MET . . . . . 0.484 ' HB3' ' CZ ' ' A' ' 98' ' ' PHE . 9.2 mtt -69.94 107.41 3.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.812 0.339 . . . . 0.0 110.851 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 14.9 m -76.44 133.0 39.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.88 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . 0.434 ' O ' ' C ' ' A' ' 141' ' ' ASN . 4.9 p80 -81.6 -43.06 19.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.846 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . 0.434 ' C ' ' O ' ' A' ' 140' ' ' HIS . 1.6 m120 -34.85 -41.12 0.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.877 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -46.99 -64.01 0.89 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.096 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' ILE . . . . . . . . . . . . . 5.2 mp -38.26 118.66 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.138 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 16.3 mtp180 -77.07 161.16 28.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -47.82 -59.81 3.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 157.19 123.39 0.76 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.491 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 89.1 p -107.26 104.2 13.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.906 0.384 . . . . 0.0 110.883 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 140.7 -120.36 1.73 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.49 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 120.38 7.18 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.733 2.288 . . . . 0.0 112.337 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 4.5 m -111.35 -55.41 2.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.841 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 91.4 p -77.7 113.81 15.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.484 -179.976 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.501 -0.239 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 27.3 m -146.47 142.09 27.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.864 0.364 . . . . 0.0 110.866 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.1 t -97.46 -48.6 5.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.857 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 69' ' ' SER . . . -130.66 -165.58 11.57 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.489 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 68' ' ' GLY . 13.8 m -37.33 128.34 1.01 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.891 0.377 . . . . 0.0 110.889 -179.717 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 67.9 m -110.42 100.18 9.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.834 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -148.65 -107.15 0.44 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.458 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 3.8 mpp? -126.8 127.18 44.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.791 0.329 . . . . 0.0 110.861 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 26.3 pm0 -158.65 142.94 15.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 48.7 t -46.96 136.63 8.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.844 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 30.6 mmt180 -92.6 -16.95 25.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.846 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 45.2 t -79.21 -56.64 6.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.096 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.418 ' SG ' ' N ' ' A' ' 78' ' ' GLY . 16.1 p -106.19 -44.78 4.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.418 ' N ' ' SG ' ' A' ' 77' ' ' CYS . . . 132.55 -44.74 1.18 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.471 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 80' ' ' LYS . 29.5 t70 -41.66 149.49 0.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.891 0.377 . . . . 0.0 110.863 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 79' ' ' ASP . 7.8 ttpp -34.45 135.2 0.18 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -87.96 104.15 16.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.087 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 13.4 t -42.95 -47.96 5.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -165.99 -161.3 14.73 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.531 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -105.89 94.59 5.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.916 0.389 . . . . 0.0 110.808 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 35.1 m-70 -110.83 145.1 38.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.843 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 55.52 30.93 16.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 61.95 16.2 51.64 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.532 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.401 ' CG1' ' HE2' ' A' ' 138' ' ' MET . 7.9 p -137.25 131.09 44.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.877 0.37 . . . . 0.0 111.116 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 12.7 m80 -59.93 97.81 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.863 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -128.27 156.39 43.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.092 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 19.9 p -93.15 173.5 7.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -60.51 -52.11 66.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.884 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -47.9 -68.9 1.06 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.471 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 98.8 m -44.38 -49.54 9.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.882 0.372 . . . . 0.0 110.876 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 19.8 ttpp -38.97 -66.49 0.28 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -39.73 -53.3 3.05 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.482 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.564 ' CE2' ' HG2' ' A' ' 129' ' ' ARG . 88.6 t80 -51.03 -65.87 0.48 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.841 0.353 . . . . 0.0 110.891 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.454 ' CZ ' ' HB3' ' A' ' 138' ' ' MET . 63.6 t80 -41.73 -69.96 0.12 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.414 ' O ' ' N ' ' A' ' 102' ' ' ILE . 21.8 ttm180 -46.91 -59.91 2.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 17.9 ttp180 -42.39 -45.05 4.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 97.5 m -63.0 -33.7 75.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.162 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.414 ' N ' ' O ' ' A' ' 99' ' ' ARG . 35.6 mm -76.88 -56.81 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.165 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.431 ' NH1' ' HB2' ' A' ' 103' ' ' ARG . 3.6 ptm85 -56.37 -29.98 62.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.857 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 21.5 mtp -97.8 -6.59 32.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 54.2 mtpt 46.13 47.66 13.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.92 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 22.4 mt -83.87 129.37 34.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.909 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -114.37 163.4 15.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 33.2 m-85 -148.17 167.98 23.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.93 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -79.04 144.59 34.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.418 ' HA ' ' CE2' ' A' ' 127' ' ' TYR . 32.5 tttp -55.82 110.18 0.69 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 37.3 t -88.98 86.44 6.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.908 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' A' ' 114' ' ' SER . 49.3 mt-10 -49.28 -41.93 39.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 40.3 mtm180 -39.34 -29.34 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.851 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 115' ' ' CYS . 1.8 m 52.24 45.21 28.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.839 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . 0.43 ' C ' ' O ' ' A' ' 114' ' ' SER . 8.1 m -35.89 134.69 0.35 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.913 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -84.27 103.98 13.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 23.6 mm -62.67 95.3 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.149 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 44.8 tp60 -103.47 142.14 34.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.943 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 31.1 mtmt -43.65 -49.72 7.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 63.2 tttt -50.81 -48.73 59.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.882 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -130.88 81.89 2.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.89 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 16.6 ptt180 -88.31 -32.2 18.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 32.6 p-10 -88.91 44.31 1.2 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.91 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 23.5 ttmt -90.79 -62.07 1.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 49.8 t -110.76 147.37 34.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 23.7 mp0 -85.93 -64.19 1.19 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . 0.558 ' CE2' ' HG3' ' A' ' 131' ' ' GLN . 65.1 t80 -45.54 -68.04 0.23 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 95.8 m -41.68 -50.12 4.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.564 ' HG2' ' CE2' ' A' ' 97' ' ' PHE . 38.1 ttt180 -50.17 -50.53 48.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.46 ' CE2' HD12 ' A' ' 134' ' ' LEU . 31.0 t80 -65.85 -53.23 42.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . 0.558 ' HG3' ' CE2' ' A' ' 127' ' ' TYR . 29.6 mm-40 -47.69 -50.61 24.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.05 -53.29 20.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 5.5 m -51.19 -50.93 58.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . 0.46 HD12 ' CE2' ' A' ' 130' ' ' PHE . 74.8 mt -55.78 -48.36 75.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -59.5 -32.94 70.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.112 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 71.5 mt -65.85 -28.57 69.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.969 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 114.56 23.8 4.61 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.482 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' MET . . . . . 0.454 ' HB3' ' CZ ' ' A' ' 98' ' ' PHE . 7.8 mtt -69.24 114.06 7.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.805 0.336 . . . . 0.0 110.844 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 4.1 t -74.91 112.27 10.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 47.8 p-80 -85.45 -12.52 51.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.878 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -89.97 5.19 47.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -106.82 32.04 4.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.118 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' ILE . . . . . . . . . . . . . 13.9 mm -94.77 87.82 2.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.135 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 12.5 tpp180 -160.51 122.73 3.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' PHE . . . . . . . . . . . . . 20.2 p90 -71.81 -43.89 64.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -167.16 150.72 17.8 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.489 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 16.0 t -53.68 114.73 1.65 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.855 0.359 . . . . 0.0 110.839 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 133.7 101.76 0.75 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.514 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 86.19 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.64 2.226 . . . . 0.0 112.353 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 151' ' ' SER . 1.2 t -123.72 95.67 4.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.827 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 150' ' ' SER . 21.7 m -37.11 151.77 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.847 -179.826 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.49 -179.98 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.5 m -157.34 153.54 27.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.899 0.38 . . . . 0.0 110.852 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 13.4 t -78.88 142.31 36.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.868 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -87.34 68.2 3.19 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.485 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 46.9 t -95.63 -50.75 4.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.899 0.38 . . . . 0.0 110.811 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 96.2 p -64.72 -48.1 75.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.844 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -61.68 -172.66 1.25 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.481 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 33.1 mmt -69.23 169.21 12.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.746 0.308 . . . . 0.0 110.854 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -155.03 138.74 16.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 42.8 t -44.24 150.63 0.29 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.896 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -101.36 -25.36 13.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 38.6 t -75.63 -58.67 4.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.14 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 15.1 p -99.36 -41.06 7.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 119.99 -39.8 2.37 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.501 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 80' ' ' LYS . 26.9 t70 -42.22 151.83 0.1 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.854 0.359 . . . . 0.0 110.888 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 79' ' ' ASP . 23.6 tttt -35.24 136.95 0.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.935 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -87.78 141.86 28.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.133 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 47.1 t -92.03 -39.57 11.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.838 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -160.44 -158.73 9.42 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.507 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -122.6 89.01 3.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.884 0.373 . . . . 0.0 110.893 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 42.0 m-70 -106.86 140.4 39.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.878 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 64.7 28.25 13.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.938 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 62.86 19.38 60.9 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.464 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 5.5 p -138.55 139.42 41.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.903 0.382 . . . . 0.0 111.113 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 15.8 m80 -67.52 90.83 0.26 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -118.7 157.31 27.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.116 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 20.4 p -95.46 172.93 7.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -56.04 -49.21 74.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.903 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -52.73 -70.67 0.84 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.475 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 64.1 m -52.07 -47.62 65.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.894 0.378 . . . . 0.0 110.871 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 34.3 tttt -42.25 -49.36 5.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -63.51 -60.94 6.75 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.481 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.565 ' CE2' ' HD3' ' A' ' 129' ' ' ARG . 39.3 t80 -38.09 -62.33 0.58 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.894 0.378 . . . . 0.0 110.888 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.529 ' CE2' ' HB3' ' A' ' 138' ' ' MET . 73.7 t80 -46.15 -55.12 7.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.549 ' NE ' HH21 ' A' ' 103' ' ' ARG . 29.4 ttt180 -55.76 -66.06 0.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.44 ' HA ' ' CG ' ' A' ' 103' ' ' ARG . 34.5 ttt180 -39.28 -49.12 1.92 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.858 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 90.9 m -56.81 -37.64 71.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.109 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.447 ' N ' ' O ' ' A' ' 99' ' ' ARG . 43.1 mm -77.55 -65.53 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.15 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.549 HH21 ' NE ' ' A' ' 99' ' ' ARG . 3.6 ptp180 -43.9 -28.93 0.5 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 25.7 mtp -98.91 -21.96 16.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 102' ' ' ILE . 34.6 mmtt 63.36 47.36 3.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 24.7 mt -81.45 146.75 30.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.867 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -116.43 159.82 21.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 49.5 m-85 -140.8 146.78 38.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.944 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.521 ' O ' ' CD2' ' A' ' 127' ' ' TYR . 8.0 pt-20 -55.76 162.07 1.9 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.909 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 45.7 tttt -77.71 116.42 18.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.939 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 16.4 t -105.11 115.12 29.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.85 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -85.44 -29.33 24.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 60.9 mtt180 -51.05 -22.97 2.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 115' ' ' CYS . 27.5 m 51.49 43.41 29.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.757 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . 0.426 ' C ' ' O ' ' A' ' 114' ' ' SER . 9.2 m -36.51 137.61 0.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.887 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 23.6 ttmt -89.28 109.72 20.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 28.1 mm -66.0 105.53 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.119 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 62.6 mt-30 -102.71 163.54 12.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.906 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 47.0 pttt -62.94 -43.26 99.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.845 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 48.9 mttm -62.62 -52.34 63.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 39.2 m-20 -105.65 92.36 4.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 82.7 mtm-85 -87.06 -54.81 4.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.897 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -81.53 43.8 0.76 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 12.5 tmtt? -78.52 -63.58 1.37 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 35.8 t -118.42 137.49 53.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . 0.451 ' NE2' ' HA ' ' A' ' 126' ' ' GLN . 6.0 mm-40 -78.88 -45.91 19.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.89 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . 0.521 ' CD2' ' O ' ' A' ' 109' ' ' GLU . 40.0 t80 -64.34 -71.74 0.17 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 84.4 m -41.26 -55.47 2.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.854 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.565 ' HD3' ' CE2' ' A' ' 97' ' ' PHE . 41.3 ttt85 -44.61 -45.1 9.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -69.33 -60.27 2.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 40.5 mm-40 -41.81 -45.38 3.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.29 -54.66 28.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.909 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' CYS . . . . . 0.459 ' HB3' ' CD1' ' A' ' 98' ' ' PHE . 65.0 m -49.7 -39.21 36.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 93.1 mt -64.63 -48.04 76.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.926 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -57.59 -38.22 74.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.113 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 59.7 mt -60.92 -28.42 68.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 109.71 6.72 28.41 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.473 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' MET . . . . . 0.529 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 7.2 mtt -51.41 116.24 1.97 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.801 0.334 . . . . 0.0 110.897 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 1.6 t -75.89 157.63 33.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.849 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . 0.418 ' O ' ' C ' ' A' ' 141' ' ' ASN . 15.9 m170 -105.97 -46.3 4.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.873 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . 0.418 ' C ' ' O ' ' A' ' 140' ' ' HIS . 58.9 t30 -37.1 -46.5 0.69 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.892 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . 0.42 ' O ' ' C ' ' A' ' 143' ' ' ILE . . . -40.47 -63.9 0.58 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.07 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' ILE . . . . . 0.42 ' C ' ' O ' ' A' ' 142' ' ' ALA . 3.4 mp -36.24 -52.45 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.063 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 51.7 ttt180 -87.53 110.37 20.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' PHE . . . . . . . . . . . . . 31.9 p90 -61.76 153.53 28.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 84.25 172.55 49.09 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.448 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 60.7 p -85.08 157.24 20.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.927 0.394 . . . . 0.0 110.907 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 149.73 146.01 4.24 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.501 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -9.58 26.46 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.69 2.26 . . . . 0.0 112.353 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 3.9 m 60.08 36.13 21.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 4.7 m -139.91 150.19 44.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.856 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.521 -179.987 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 20.8 m 60.93 42.21 13.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.897 0.38 . . . . 0.0 110.862 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 66.5 m -120.28 -46.63 2.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.901 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.41 -104.24 1.98 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.47 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 66.9 m -105.98 109.58 21.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.915 0.388 . . . . 0.0 110.869 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 71.9 p -50.49 -52.43 38.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.83 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 125.18 -108.09 1.05 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.527 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.42 140.08 49.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.747 0.308 . . . . 0.0 110.858 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -149.58 154.64 39.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.862 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 44.8 t -66.23 147.34 53.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.924 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 22.4 mmt180 -90.18 -25.58 20.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 66.1 t -74.52 -70.96 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.104 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.4 ' SG ' ' N ' ' A' ' 78' ' ' GLY . 31.2 p -86.89 -48.22 8.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.4 ' N ' ' SG ' ' A' ' 77' ' ' CYS . . . 127.49 -34.24 3.09 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.514 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.447 ' O ' ' C ' ' A' ' 80' ' ' LYS . 23.8 t70 -48.86 150.72 1.4 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.859 0.361 . . . . 0.0 110.87 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 79' ' ' ASP . 18.2 tttt -34.07 137.61 0.1 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -84.94 145.56 27.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.1 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 25.0 m -93.75 -47.24 6.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -154.42 -175.95 26.18 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.474 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -103.58 89.29 3.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.882 0.373 . . . . 0.0 110.908 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 18.6 m-70 -110.73 147.23 34.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.868 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 58.07 30.7 19.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.929 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 60.49 13.29 29.68 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.445 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.423 HG13 ' CG ' ' A' ' 138' ' ' MET . 7.0 p -134.07 132.3 55.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.88 0.372 . . . . 0.0 111.12 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 25.1 m80 -62.12 91.08 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -116.26 164.38 14.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.119 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 17.8 p -102.83 159.03 15.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.882 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -46.36 -47.98 18.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -50.6 -68.73 1.33 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.492 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 84.9 m -55.24 -48.59 73.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.952 0.406 . . . . 0.0 110.907 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 20.6 tttm -38.2 -65.62 0.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.931 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -48.01 -60.46 5.53 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.46 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.466 ' CE1' ' HG2' ' A' ' 129' ' ' ARG . 11.7 t80 -38.15 -60.54 0.75 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.888 0.375 . . . . 0.0 110.881 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -44.96 -68.16 0.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 19.7 ttm180 -46.42 -58.29 3.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 17.7 ttt180 -41.94 -57.81 2.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 61.9 m -53.18 -30.66 38.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.184 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 48.4 mm -76.57 -64.07 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.163 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 28.2 ptt180 -53.56 -24.88 14.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' MET . . . . . 0.446 ' CB ' ' HG ' ' A' ' 106' ' ' LEU . 11.6 mtp -96.25 -14.13 22.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 24.7 mtpp 51.2 36.67 16.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.938 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.446 ' HG ' ' CB ' ' A' ' 104' ' ' MET . 23.8 mt -74.66 146.85 42.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 12.8 pm0 -114.99 169.51 9.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -148.96 164.97 33.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.942 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -73.47 139.16 45.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.891 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.44 ' HA ' ' CE2' ' A' ' 127' ' ' TYR . 22.1 ttmt -63.75 128.73 37.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 49.9 t -120.05 107.45 13.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.845 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -73.83 -32.81 63.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.863 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 74.1 mtp180 -47.21 -21.84 0.32 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 115' ' ' CYS . 47.0 m 48.65 45.87 21.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . 0.454 ' N ' ' SG ' ' A' ' 128' ' ' CYS . 14.0 m -36.46 151.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.88 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 6.5 tmtm? -103.53 109.62 21.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 25.6 mm -62.88 108.05 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.116 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -117.06 141.08 48.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.955 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 28.3 ttpt -47.09 -52.23 15.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.937 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 27.1 mttt -45.43 -55.09 6.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -130.31 80.99 1.98 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 30.5 ptt-85 -84.99 -34.74 22.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.844 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 43.9 t-20 -80.2 59.21 3.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 20.8 ttpt -112.19 -65.51 1.17 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 33.9 t -112.65 137.54 50.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -87.68 -55.19 3.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.941 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . 0.474 ' CE1' ' HG3' ' A' ' 131' ' ' GLN . 44.5 t80 -47.29 -56.02 7.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . 0.454 ' SG ' ' N ' ' A' ' 115' ' ' CYS . 47.2 m -53.19 -55.8 21.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.905 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.466 ' HG2' ' CE1' ' A' ' 97' ' ' PHE . 13.5 ttm-85 -40.06 -53.17 2.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -62.78 -45.17 93.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . 0.474 ' HG3' ' CE1' ' A' ' 127' ' ' TYR . 14.3 mm100 -51.42 -55.87 16.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 27.1 tttp -42.32 -58.27 2.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 55.3 m -42.2 -46.48 4.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.881 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . 0.488 ' CD2' ' NE2' ' A' ' 140' ' ' HIS . 46.1 mt -63.64 -57.23 10.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -51.35 -34.31 33.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.113 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 65.6 mt -64.34 -26.22 68.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 108.44 14.84 15.07 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.504 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' MET . . . . . 0.423 ' CG ' HG13 ' A' ' 88' ' ' VAL . 17.1 mtt -59.18 121.48 11.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.738 0.304 . . . . 0.0 110.878 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 8.2 t -88.24 119.25 28.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.87 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . 0.488 ' NE2' ' CD2' ' A' ' 134' ' ' LEU . 12.9 m80 -69.4 -49.63 53.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.851 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . 0.434 ' O ' ' C ' ' A' ' 142' ' ' ALA . 32.2 m120 -38.92 -46.53 1.33 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 141' ' ' ASN . . . -34.63 -52.07 0.5 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.134 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' ILE . . . . . . . . . . . . . 20.1 mt -41.91 112.07 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.153 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -84.25 145.96 28.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -96.07 154.75 17.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 127.12 -153.26 18.96 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.481 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 5.4 m -81.0 116.02 20.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.905 0.383 . . . . 0.0 110.859 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -86.44 -172.44 48.53 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.503 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . 0.466 ' O ' ' N ' ' A' ' 151' ' ' SER . 53.7 Cg_endo -69.74 -9.28 25.74 Favored 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.712 2.275 . . . . 0.0 112.315 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 149' ' ' PRO . 37.1 t -35.62 95.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.84 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' SER . . . . . 0.466 ' N ' ' O ' ' A' ' 149' ' ' PRO . 57.2 p -49.05 -50.06 38.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.838 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.515 -179.981 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 14.6 t 45.59 41.82 7.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.863 0.363 . . . . 0.0 110.848 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.2 t -117.35 119.08 34.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.83 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 177.1 -79.93 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.494 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 47.3 p -116.72 -56.87 2.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.884 0.373 . . . . 0.0 110.858 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 29.6 t -93.56 89.45 6.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.842 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -97.13 130.96 10.43 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.453 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 4.2 mpp? -116.97 115.94 26.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.7 0.286 . . . . 0.0 110.932 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -153.74 144.73 22.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.846 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 42.5 t -67.53 132.33 47.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.847 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.491 ' CZ ' ' HB3' ' A' ' 75' ' ' ARG . 2.6 mmm180 -88.37 25.1 1.73 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.854 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 63.7 t -128.98 -40.0 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.127 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 32.0 p -119.98 -47.02 2.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 132.51 -40.76 1.57 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.523 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 80' ' ' LYS . 21.4 t0 -52.38 155.65 2.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.896 0.379 . . . . 0.0 110.815 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 79' ' ' ASP . 0.1 OUTLIER -36.25 153.84 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -113.22 126.92 55.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.066 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 11.1 t -55.29 -53.61 53.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . 0.44 ' O ' ' CD2' ' A' ' 85' ' ' HIS . . . 172.99 -156.59 25.01 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.474 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.529 ' CZ ' ' HA2' ' A' ' 87' ' ' GLY . 2.9 t80 -68.46 130.02 41.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.902 0.382 . . . . 0.0 110.891 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.44 ' CD2' ' O ' ' A' ' 83' ' ' GLY . 78.4 m-70 -153.46 117.72 4.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.824 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 59.05 27.88 16.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.529 ' HA2' ' CZ ' ' A' ' 84' ' ' PHE . . . 88.58 -27.03 7.42 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.49 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.408 HG23 ' N ' ' A' ' 89' ' ' HIS . 8.6 p -108.07 137.95 37.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.887 0.375 . . . . 0.0 111.109 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.408 ' N ' HG23 ' A' ' 88' ' ' VAL . 64.9 m80 -74.87 97.56 3.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -115.41 171.73 7.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.06 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 14.8 p -101.21 169.37 8.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -51.32 -54.09 29.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -45.86 -71.67 0.48 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.497 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 56.3 m -53.14 -45.32 68.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.892 0.377 . . . . 0.0 110.849 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 27.9 ttmt -41.87 -59.11 1.8 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -57.29 -49.95 68.56 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.482 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.496 ' CE1' ' HD3' ' A' ' 129' ' ' ARG . 69.6 t80 -47.78 -68.58 0.17 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.843 0.354 . . . . 0.0 110.856 -179.818 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.557 ' CZ ' ' HB3' ' A' ' 138' ' ' MET . 87.1 t80 -43.3 -68.69 0.18 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.881 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 102' ' ' ILE . 0.0 OUTLIER -37.61 -63.03 0.48 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.921 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 20.5 ttt-85 -39.38 -46.43 1.63 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.437 HG23 ' CE1' ' A' ' 130' ' ' PHE . 22.3 m -59.92 -39.15 84.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.124 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.435 ' N ' ' O ' ' A' ' 99' ' ' ARG . 33.6 mm -71.98 -64.13 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.13 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 6.8 ptt180 -49.8 -34.17 18.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.886 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 66.7 mtp -91.26 -12.23 35.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.863 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 41.1 mtmt 51.79 46.14 27.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 42.6 mt -80.25 165.28 22.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.946 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -141.46 137.97 32.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.478 ' CE1' ' HB3' ' A' ' 126' ' ' GLN . 31.0 m-85 -113.8 155.65 25.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -72.66 138.5 46.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.89 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 2.5 ttmp? -49.93 117.01 2.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 18.3 t -104.45 93.15 4.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.939 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -61.48 -35.38 77.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.884 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 35.9 mtt180 -46.23 -21.03 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.4 m 46.18 49.89 12.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 13.8 m -42.89 163.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.874 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 4.9 mmmm -112.11 113.03 25.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.892 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 9.5 mm -70.68 103.19 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.129 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -97.81 178.24 5.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.933 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 37.8 pttt -84.33 -17.09 40.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 48.1 tttt -85.17 -43.82 13.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 53.4 m-20 -114.88 55.32 0.76 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.877 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 23.1 mtt85 -51.5 -22.99 3.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 12.4 p-10 -114.26 53.61 0.79 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.844 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -87.34 -59.95 2.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 34.0 t -115.11 143.71 44.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . 0.478 ' HB3' ' CE1' ' A' ' 108' ' ' TYR . 19.8 mt-30 -84.63 -40.69 17.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . 0.455 ' CE2' ' HG3' ' A' ' 131' ' ' GLN . 61.6 t80 -72.23 -70.81 0.32 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . 0.419 ' C ' ' O ' ' A' ' 127' ' ' TYR . 98.1 m -36.6 -53.88 0.88 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.931 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.496 ' HD3' ' CE1' ' A' ' 97' ' ' PHE . 39.6 ttt180 -46.55 -56.47 5.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.437 ' CE1' HG23 ' A' ' 101' ' ' THR . 27.5 t80 -59.32 -46.2 89.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . 0.455 ' HG3' ' CE2' ' A' ' 127' ' ' TYR . 12.5 mm100 -54.07 -58.51 7.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.836 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 42.0 tttt -39.92 -50.51 2.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 33.6 m -53.33 -54.07 41.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.927 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 35.5 mt -50.03 -45.71 52.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.916 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -60.2 -41.24 92.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.109 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 77.9 mt -59.92 -29.15 68.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 107.73 31.1 3.77 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.48 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' MET . . . . . 0.557 ' HB3' ' CZ ' ' A' ' 98' ' ' PHE . 7.1 mtt -71.27 121.99 19.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.799 0.333 . . . . 0.0 110.888 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 34.5 p -85.02 162.05 19.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 9.8 p80 -116.03 -27.8 6.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.815 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -82.47 -20.41 36.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -98.14 33.15 2.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.094 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' ILE . . . . . . . . . . . . . 64.6 mt -90.31 -37.08 9.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.131 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 22.0 ttp180 -129.88 153.9 47.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.917 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -117.23 129.08 55.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 156.75 71.87 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.484 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 6.1 t -74.78 132.67 41.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.936 0.398 . . . . 0.0 110.812 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -179.81 -162.48 28.85 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.499 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 96.37 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.679 2.252 . . . . 0.0 112.321 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 94.5 p -46.5 155.89 0.21 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 1.4 t -51.58 -59.72 3.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.831 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.488 179.977 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.8 t -94.56 98.94 11.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.869 0.366 . . . . 0.0 110.889 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 30.5 t -143.69 143.71 31.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -167.83 -178.75 40.04 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.484 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 28.1 t -82.81 45.99 1.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.911 0.386 . . . . 0.0 110.862 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 85.5 p -56.33 -46.93 79.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.858 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 99.32 -50.73 1.15 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.454 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 50.4 mtm -140.91 141.96 34.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.725 0.297 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -135.72 137.28 41.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 45.9 t -43.15 138.38 2.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 23.4 mmt85 -97.86 23.27 8.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.811 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 96.5 t -125.72 -42.06 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.126 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 29.1 p -115.37 -46.57 2.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 130.76 -31.34 3.24 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.476 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 80' ' ' LYS . 17.3 t70 -56.81 150.43 16.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.896 0.379 . . . . 0.0 110.922 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 79' ' ' ASP . 16.9 pttm -37.15 135.4 0.5 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -82.55 130.88 35.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.058 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 5.3 t -70.64 -50.5 36.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.832 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -170.33 -178.89 41.47 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.482 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -85.31 93.6 8.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.91 0.386 . . . . 0.0 110.873 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.518 ' CG ' ' HD3' ' A' ' 95' ' ' LYS . 22.8 m-70 -115.89 138.56 51.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 62.32 25.24 15.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 72.19 11.85 75.58 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.463 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.473 HG23 ' N ' ' A' ' 89' ' ' HIS . 11.5 p -137.08 146.2 28.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.899 0.381 . . . . 0.0 111.166 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.473 ' N ' HG23 ' A' ' 88' ' ' VAL . 50.7 m80 -77.68 92.55 4.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.841 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -117.61 166.05 12.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.135 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 26.4 p -100.08 172.44 7.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -59.98 -21.85 61.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -77.81 -72.92 1.11 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.454 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 62.5 m -48.68 -20.54 0.47 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.901 0.381 . . . . 0.0 110.89 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.518 ' HD3' ' CG ' ' A' ' 85' ' ' HIS . 2.7 mtmp? -70.64 -59.04 3.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -52.05 -37.55 45.74 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.504 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -61.04 -61.9 2.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.934 0.397 . . . . 0.0 110.929 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -48.99 -68.77 0.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.929 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 27.7 ttp180 -39.91 -49.06 2.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 15.5 ttp180 -58.04 -58.06 10.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 49.1 m -50.32 -20.74 1.16 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.146 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 45.8 mm -86.7 -63.26 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.119 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.443 ' HD2' ' CG ' ' A' ' 104' ' ' MET . 0.2 OUTLIER -60.68 -21.09 62.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.834 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' MET . . . . . 0.443 ' CG ' ' HD2' ' A' ' 103' ' ' ARG . 33.2 mtp -96.33 -10.12 28.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.35 42.27 28.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 36.0 mt -79.87 147.36 31.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.439 ' O ' ' CD1' ' A' ' 108' ' ' TYR . 4.7 pt-20 -130.08 163.41 26.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.439 ' CD1' ' O ' ' A' ' 107' ' ' GLU . 40.3 m-85 -149.96 179.1 8.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.929 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -85.98 139.21 31.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.908 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.421 ' HA ' ' CE2' ' A' ' 127' ' ' TYR . 34.8 ttpt -57.36 143.98 37.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.94 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 9.3 t -132.14 107.75 8.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 114' ' ' SER . 5.2 mm-40 -80.02 -36.08 36.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 62.1 mtp180 -39.8 -28.35 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.829 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 115' ' ' CYS . 8.0 t 61.4 44.07 9.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.817 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . 0.446 ' C ' ' O ' ' A' ' 114' ' ' SER . 38.8 m -34.48 132.63 0.28 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 10.9 pttm -85.17 88.11 7.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 2.0 mt -66.88 111.02 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -119.09 166.97 12.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.908 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 22.2 pttm -54.14 -39.63 66.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 10.9 mmtp -59.35 -53.37 58.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.882 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -123.46 86.73 2.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 65.4 mtp180 -87.73 -37.35 16.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -87.81 48.47 1.65 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.857 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 6.8 tmtt? -95.21 -61.4 1.48 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.928 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 50.3 t -118.13 144.02 46.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 4.8 mp0 -86.68 -61.53 1.71 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.886 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . 0.421 ' CE2' ' HA ' ' A' ' 110' ' ' LYS . 19.0 t80 -48.06 -63.53 1.04 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.931 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 33.8 m -42.75 -47.09 5.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.905 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 28.4 ttt180 -52.07 -64.43 0.82 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.501 ' CE2' HD12 ' A' ' 134' ' ' LEU . 60.1 t80 -54.63 -46.99 73.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 50.1 mm-40 -51.92 -54.13 33.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.912 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 48.6 tttt -44.6 -46.96 10.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 9.2 m -55.46 -56.23 22.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.833 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . 0.501 HD12 ' CE2' ' A' ' 130' ' ' PHE . 13.5 mt -57.53 -44.76 85.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -57.77 -41.13 81.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.101 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 50.1 mt -62.98 -30.41 71.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 121.06 18.67 3.78 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.504 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 6.2 mtt -61.5 105.83 0.57 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.788 0.328 . . . . 0.0 110.858 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 37.1 t -84.85 124.47 31.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.846 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -70.96 -33.76 70.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.843 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -43.2 -44.94 5.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . 0.435 ' O ' ' C ' ' A' ' 143' ' ' ILE . . . -41.05 -69.63 0.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.115 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' ILE . . . . . 0.435 ' C ' ' O ' ' A' ' 142' ' ' ALA . 5.2 mp -34.8 -51.72 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.128 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.426 ' HD3' ' C ' ' A' ' 144' ' ' ARG . 0.3 OUTLIER -151.93 119.0 5.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' PHE . . . . . . . . . . . . . 44.5 p90 -145.4 121.49 10.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -127.27 -172.41 13.25 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.432 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 23.6 t -41.17 -54.13 2.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.869 0.366 . . . . 0.0 110.855 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 81.29 86.06 0.68 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.485 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -7.65 21.6 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.676 2.25 . . . . 0.0 112.391 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 13.3 t -88.15 -45.49 10.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 21.1 t 55.47 42.04 30.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.881 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.438 -179.999 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 59.7 p -61.61 127.93 33.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.879 0.371 . . . . 0.0 110.819 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 56.7 p -125.97 99.11 5.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.871 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 99.56 120.92 4.51 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.452 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.5 t -75.34 108.79 8.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.851 0.358 . . . . 0.0 110.888 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 45.1 m 41.27 44.62 2.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.884 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -82.41 -69.99 1.37 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.453 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 2.4 mpt? -145.57 132.18 19.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.766 0.317 . . . . 0.0 110.868 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -145.11 153.03 40.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.867 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 42.5 t -61.44 135.85 57.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 17.1 mmt180 -93.38 24.89 3.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 69.7 t -129.0 -38.14 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.082 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 32.1 p -121.5 -46.67 2.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 129.37 -37.98 2.09 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.467 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -45.92 171.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.874 0.368 . . . . 0.0 110.855 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 10.2 pttp -57.29 142.57 42.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.869 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -87.65 120.26 28.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.086 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 31.4 t -69.99 -52.81 21.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -148.24 -159.95 8.74 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.499 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -120.91 87.78 2.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.867 0.365 . . . . 0.0 110.919 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 54.4 m-70 -105.08 145.52 30.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 60.9 26.93 16.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 61.74 20.2 59.3 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.439 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.421 HG11 ' CG ' ' A' ' 138' ' ' MET . 4.2 p -137.43 131.13 44.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.87 0.367 . . . . 0.0 111.138 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 11.9 m80 -58.15 91.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -120.17 161.37 21.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.058 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 14.7 p -100.34 168.3 9.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.932 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -54.09 -51.8 63.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.845 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -47.49 -69.78 0.84 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.481 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . 0.43 ' O ' ' C ' ' A' ' 95' ' ' LYS . 64.2 m -55.97 -52.11 65.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.918 0.389 . . . . 0.0 110.895 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 94' ' ' CYS . 47.1 tttt -36.05 -60.3 0.56 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -54.38 -54.87 29.69 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.432 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.404 ' CE1' ' HD3' ' A' ' 129' ' ' ARG . 9.3 t80 -41.24 -51.96 3.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.875 0.369 . . . . 0.0 110.889 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -53.98 -68.75 0.15 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.847 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.449 ' NH1' ' O ' ' A' ' 143' ' ' ILE . 8.1 tpt180 -39.24 -50.36 1.95 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 35.4 ttm180 -59.46 -61.37 2.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.873 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.536 HG22 ' CD1' ' A' ' 130' ' ' PHE . 24.6 m -42.36 -25.62 0.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.182 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 26.1 mm -86.25 -65.51 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.14 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.439 ' CG ' ' N ' ' A' ' 104' ' ' MET . 15.2 ptt180 -48.82 -44.13 39.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.867 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' MET . . . . . 0.439 ' N ' ' CG ' ' A' ' 103' ' ' ARG . 41.6 mtp -84.57 -6.64 59.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 56.6 mttt 45.97 41.07 7.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 13.6 mt -70.93 125.69 27.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 24.1 pm0 -105.44 164.22 12.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -139.35 176.0 9.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.958 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -86.86 136.77 32.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.4 ' HA ' ' CZ ' ' A' ' 127' ' ' TYR . 13.2 tppt? -45.3 150.35 0.44 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 17.0 t -143.44 118.53 10.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.849 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 113' ' ' ARG . 41.6 mt-10 -92.39 -40.87 10.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.84 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 112' ' ' GLU . 26.5 mmm-85 -37.01 -36.32 0.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.854 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 115' ' ' CYS . 1.1 t 71.57 37.54 1.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.753 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . 0.446 ' N ' ' SG ' ' A' ' 128' ' ' CYS . 7.0 m -34.7 148.11 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 48.5 mttt -104.86 120.63 41.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 18.0 mm -72.8 101.64 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.079 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.407 ' O ' ' N ' ' A' ' 122' ' ' ARG . 25.9 tp60 -96.66 142.98 28.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.935 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.404 ' O ' ' NH1' ' A' ' 122' ' ' ARG . 9.8 ptpp? -55.68 -45.1 77.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.27 -50.6 73.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 48.9 m-20 -127.39 66.12 1.31 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.893 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . 0.407 ' N ' ' O ' ' A' ' 118' ' ' GLN . 9.7 ptt-85 -74.61 -26.19 59.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.908 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -83.49 65.65 8.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.849 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 30.3 mttt -118.68 -64.14 1.32 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 19.2 t -114.63 139.34 49.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -87.79 -41.47 13.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.953 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . 0.4 ' CZ ' ' HA ' ' A' ' 110' ' ' LYS . 17.9 t80 -58.18 -68.37 0.26 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.96 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . 0.446 ' SG ' ' N ' ' A' ' 115' ' ' CYS . 89.0 m -47.54 -33.85 6.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.951 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.404 ' HD3' ' CE1' ' A' ' 97' ' ' PHE . 42.7 ttt85 -61.66 -53.18 59.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.923 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.536 ' CD1' HG22 ' A' ' 101' ' ' THR . 54.1 t80 -67.65 -45.05 76.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 26.3 mm100 -53.35 -47.09 69.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 34.8 tttt -54.79 -45.67 74.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 47.3 m -55.59 -38.85 69.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.894 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 20.8 mt -69.14 -46.14 68.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.959 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -58.07 -26.19 62.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.069 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 80.3 mt -73.13 -15.94 61.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 97.15 2.08 59.32 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.506 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' MET . . . . . 0.421 ' CG ' HG11 ' A' ' 88' ' ' VAL . 17.4 mtt -41.38 115.46 0.62 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.796 0.332 . . . . 0.0 110.842 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 40.0 p -81.33 74.81 8.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.815 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . 0.525 ' CD2' ' N ' ' A' ' 141' ' ' ASN . 33.2 p-80 -49.36 -51.84 32.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.866 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . 0.525 ' N ' ' CD2' ' A' ' 140' ' ' HIS . 1.1 p-10 -38.28 -27.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . 0.482 ' N ' ' O ' ' A' ' 140' ' ' HIS . . . -81.63 42.31 0.68 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.145 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' ILE . . . . . 0.449 ' O ' ' NH1' ' A' ' 99' ' ' ARG . 43.6 mm -58.85 -56.74 14.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 4.0 ptt180 -141.34 -175.97 4.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -113.05 132.98 55.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 95.05 -153.34 20.79 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.485 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 1.8 t -44.95 155.88 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.941 0.401 . . . . 0.0 110.878 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -160.55 96.27 0.15 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.519 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 107.75 1.93 Allowed 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 122.732 2.288 . . . . 0.0 112.308 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 14.8 t -104.58 146.65 28.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.836 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 37.7 m -151.03 127.97 11.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.876 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.502 -179.995 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.516 -0.233 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 59.9 p -56.08 107.55 0.37 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.858 0.361 . . . . 0.0 110.846 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.8 m -80.86 128.82 34.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.853 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -172.22 89.34 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.461 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 28.2 m -110.15 -45.45 3.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.839 0.352 . . . . 0.0 110.841 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.4 t -60.76 112.67 2.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.875 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -133.79 -120.81 2.13 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.51 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.419 ' HA ' ' CE ' ' A' ' 72' ' ' MET . 1.0 OUTLIER -94.06 115.89 28.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.771 0.32 . . . . 0.0 110.844 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -132.74 162.9 30.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 48.8 t -79.17 153.81 29.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.845 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 24.6 mmm180 -92.99 -31.99 14.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.437 HG22 ' CD1' ' A' ' 136' ' ' LEU . 70.2 t -70.99 -71.45 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.112 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.422 ' SG ' ' N ' ' A' ' 78' ' ' GLY . 23.7 p -85.73 -47.84 9.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.422 ' N ' ' SG ' ' A' ' 77' ' ' CYS . . . 126.73 -37.31 2.44 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.484 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.46 ' O ' ' C ' ' A' ' 80' ' ' LYS . 19.4 t70 -45.15 153.67 0.19 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.836 0.351 . . . . 0.0 110.873 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 79' ' ' ASP . 18.7 ttpt -33.34 134.61 0.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.923 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -87.83 140.2 29.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.132 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 25.9 t -83.67 -48.22 10.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.841 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -158.96 -152.03 6.31 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.451 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.427 ' CZ ' ' O ' ' A' ' 87' ' ' GLY . 3.9 t80 -121.21 90.35 3.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.888 0.375 . . . . 0.0 110.849 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 69.2 m-70 -105.79 141.4 37.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.88 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 60.94 33.61 19.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.427 ' O ' ' CZ ' ' A' ' 84' ' ' PHE . . . 60.85 19.31 55.64 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.506 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 10.6 p -137.86 142.93 34.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.898 0.38 . . . . 0.0 111.134 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 41.5 m80 -73.87 93.59 2.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.849 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -123.69 165.84 16.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.171 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 19.0 p -101.83 164.74 11.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.871 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -53.94 -55.59 25.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -42.77 -62.52 2.23 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.504 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . 0.411 ' O ' ' C ' ' A' ' 95' ' ' LYS . 75.6 m -53.9 -53.19 56.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.919 0.39 . . . . 0.0 110.885 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 94' ' ' CYS . 5.6 ttpm? -37.52 -62.15 0.55 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.938 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -46.53 -44.7 16.72 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.478 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -60.04 -60.46 3.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.836 0.35 . . . . 0.0 110.831 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -50.72 -66.0 0.46 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 37.2 ttp85 -47.27 -46.62 24.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.84 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 23.7 ttp180 -56.17 -48.56 76.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 61.9 m -61.0 -24.45 66.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.142 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 20.7 mm -86.65 -65.51 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.097 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -50.72 -27.88 7.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 41.9 mtp -97.22 -16.67 20.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.873 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 18.7 mtmt 55.38 47.68 20.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 39.0 mt -84.17 143.8 29.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -105.72 160.39 15.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.894 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 57.5 m-85 -136.32 146.54 46.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -58.48 138.83 56.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.842 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 9.3 tppt? -63.16 119.76 10.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.908 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 42.6 t -115.26 108.68 16.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -74.81 -34.56 62.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 26.2 mtp180 -47.7 -21.69 0.41 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 115' ' ' CYS . 3.8 m 48.13 47.76 18.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 -179.775 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . 0.424 ' C ' ' O ' ' A' ' 114' ' ' SER . 9.3 m -36.23 144.92 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.896 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -93.87 113.49 25.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 7.9 mm -74.2 95.87 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.126 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -108.68 147.49 31.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 3.9 pttm -47.17 -51.34 18.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -42.98 -55.01 3.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.864 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -133.62 88.51 2.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -89.28 -34.63 16.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 55.4 t30 -82.41 65.53 7.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 19.5 mttm -116.96 -63.83 1.39 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 15.0 t -114.51 138.05 51.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.882 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -81.82 -53.89 5.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . 0.454 ' CE1' ' HG3' ' A' ' 131' ' ' GLN . 43.1 t80 -51.62 -65.73 0.51 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.923 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 82.7 m -47.19 -44.31 22.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.901 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -54.23 -48.66 70.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.832 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -66.04 -49.04 69.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . 0.454 ' HG3' ' CE1' ' A' ' 127' ' ' TYR . 78.2 mm-40 -49.49 -47.19 48.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 27.5 tttp -49.56 -48.52 48.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 87.5 m -53.57 -49.02 68.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 69.1 mt -62.29 -39.01 91.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.879 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -65.4 -40.35 93.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.072 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.437 ' CD1' HG22 ' A' ' 76' ' ' VAL . 70.7 mt -60.0 -25.43 65.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 104.21 22.81 8.45 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.47 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 8.5 mtt -66.67 107.33 2.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.794 0.331 . . . . 0.0 110.868 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 2.9 t -60.49 119.12 7.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.833 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . 0.48 ' CG ' ' N ' ' A' ' 141' ' ' ASN . 37.7 p-80 -81.48 -49.2 10.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.877 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . 0.48 ' N ' ' CG ' ' A' ' 140' ' ' HIS . 18.4 t-20 -44.87 -48.16 11.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 141' ' ' ASN . . . -36.45 -47.22 0.6 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.108 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' ILE . . . . . . . . . . . . . 27.5 mt -61.47 107.59 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.155 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 12.3 mmm180 -48.58 145.56 3.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.863 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' PHE . . . . . . . . . . . . . 32.0 p90 -96.2 126.07 41.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 147' ' ' SER . . . -93.31 -84.34 1.57 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.513 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 146' ' ' GLY . 89.7 p -34.5 139.95 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.927 0.394 . . . . 0.0 110.832 -179.764 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 166.53 -73.53 0.16 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.514 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . 0.453 ' O ' ' C ' ' A' ' 150' ' ' SER . 53.7 Cg_endo -69.79 3.28 2.88 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.683 2.255 . . . . 0.0 112.352 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 149' ' ' PRO . 4.0 m -34.48 144.37 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 8.6 t -40.99 139.09 0.94 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.469 -179.94 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 36.1 p -66.61 124.59 23.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.909 0.385 . . . . 0.0 110.84 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 83.6 p -107.15 -43.9 4.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.86 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -140.35 -174.18 13.75 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.502 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 84.8 p -61.17 157.62 15.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.868 0.366 . . . . 0.0 110.863 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 7.7 t -39.31 122.93 1.35 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.853 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -74.26 172.47 51.91 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.474 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.498 ' SD ' ' CD2' ' A' ' 89' ' ' HIS . 5.1 ttm -126.54 163.84 22.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.739 0.304 . . . . 0.0 110.896 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -147.8 141.65 25.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.909 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 39.7 t -66.98 138.21 57.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -90.62 29.64 1.28 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 87.0 t -134.85 -39.89 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.136 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 31.3 p -125.66 -46.92 1.71 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.885 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 135.84 -35.0 2.2 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.509 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -50.65 151.5 2.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.9 0.381 . . . . 0.0 110.871 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 10.3 ttmm -39.26 137.5 0.74 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.948 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 82' ' ' SER . . . -74.48 83.65 1.99 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.075 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 81' ' ' ALA . 29.4 t -34.96 -52.08 0.54 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.85 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -156.06 -166.26 15.73 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.483 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.458 ' CE2' ' HA2' ' A' ' 87' ' ' GLY . 26.3 t80 -114.74 88.55 2.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.924 0.392 . . . . 0.0 110.905 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 46.6 m-70 -104.73 155.83 18.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.826 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 52.96 26.41 4.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.458 ' HA2' ' CE2' ' A' ' 84' ' ' PHE . . . 63.61 18.08 60.96 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.445 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 7.7 p -135.89 131.05 49.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.857 0.361 . . . . 0.0 111.088 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.498 ' CD2' ' SD ' ' A' ' 72' ' ' MET . 11.4 m80 -57.17 99.4 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -133.53 167.4 20.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.049 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 16.7 p -100.01 171.91 7.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.841 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -62.77 -51.13 68.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -45.54 -70.46 0.63 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.445 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . 0.466 ' O ' ' N ' ' A' ' 97' ' ' PHE . 95.4 m -43.54 -56.53 3.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.915 0.388 . . . . 0.0 110.893 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 94' ' ' CYS . 18.2 ttmt -35.23 -55.74 0.62 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -53.72 -39.41 61.27 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.487 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.466 ' N ' ' O ' ' A' ' 94' ' ' CYS . 8.2 t80 -67.07 -50.61 61.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.918 0.39 . . . . 0.0 110.883 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -57.92 -58.77 6.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.82 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 26.2 ttp180 -55.94 -52.95 62.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 18.0 ttt180 -46.52 -51.7 14.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 99.6 m -57.71 -31.6 66.57 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.134 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 30.6 mm -79.73 -65.63 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -49.53 -34.96 18.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 76.5 mtp -89.03 -19.0 26.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 17.4 mmtp 58.72 37.59 25.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 39.9 mt -72.11 139.03 48.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.938 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -102.35 162.97 12.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -137.62 175.26 9.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.935 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -101.66 135.24 43.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.93 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 35.3 ttmt -50.05 115.5 1.44 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 50.0 t -105.23 94.44 5.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 113' ' ' ARG . 36.3 mt-10 -62.44 -44.72 95.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 112' ' ' GLU . 0.1 OUTLIER -35.79 -45.31 0.38 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 -179.937 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.7 t 73.0 46.56 0.23 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . 0.451 ' N ' ' SG ' ' A' ' 128' ' ' CYS . 8.2 m -39.56 142.61 0.28 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.845 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 15.1 ttmt -91.15 110.27 21.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.872 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 14.0 mm -67.4 121.61 16.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -121.97 168.16 12.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 3.9 pttp -74.5 -23.13 58.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.939 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -78.19 -49.93 12.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -124.21 74.5 1.31 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 30.3 ptt180 -80.96 -35.92 31.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 5.7 p-10 -85.08 44.95 1.12 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 16.5 tptp -95.15 -59.73 1.83 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.901 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 17.3 t -117.34 129.11 55.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.937 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 19.8 mp0 -75.93 -44.42 40.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -59.56 -66.91 0.44 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . 0.451 ' SG ' ' N ' ' A' ' 115' ' ' CYS . 67.7 m -44.59 -58.15 3.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.873 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 3.0 tpp85 -41.03 -57.28 2.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.906 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -55.94 -54.01 49.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.871 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -42.13 -49.19 4.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 44.6 tttt -48.11 -48.1 34.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' CYS . . . . . 0.428 ' O ' ' N ' ' A' ' 136' ' ' LEU . 81.3 m -54.57 -60.37 3.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.837 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 98.7 mt -42.23 -36.74 1.29 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -74.88 -36.43 62.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.073 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.428 ' N ' ' O ' ' A' ' 133' ' ' CYS . 37.9 mt -61.19 -24.24 66.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 92.98 27.59 13.55 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.475 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 28.3 mtt -63.1 172.19 1.93 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.781 0.324 . . . . 0.0 110.898 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 4.1 m -125.86 102.08 7.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . 0.401 ' CD2' ' H ' ' A' ' 141' ' ' ASN . 2.4 p-80 -71.71 -45.01 63.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.846 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . 0.401 ' H ' ' CD2' ' A' ' 140' ' ' HIS . 1.6 p-10 -53.62 -41.81 67.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -39.37 -40.3 0.78 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.132 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' ILE . . . . . . . . . . . . . 32.9 mm -45.03 113.19 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 18.6 ptt180 -136.41 107.84 6.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' PHE . . . . . 0.473 ' CD2' ' O ' ' A' ' 145' ' ' PHE . 28.4 p90 -87.0 36.92 0.74 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 66.33 -134.29 33.53 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.492 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' SER . . . . . 0.452 ' O ' ' C ' ' A' ' 148' ' ' GLY . 2.5 m 56.41 41.21 29.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.929 0.395 . . . . 0.0 110.835 -179.744 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 147' ' ' SER . . . -34.07 106.51 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.456 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -7.23 20.52 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.724 2.283 . . . . 0.0 112.369 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 3.6 m -53.08 152.28 4.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 66.2 m -136.3 161.77 34.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.907 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.542 179.963 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.527 -0.229 . . . . 0.0 112.527 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.1 t -83.51 42.16 0.82 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.913 0.387 . . . . 0.0 110.856 -179.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.4 t -158.1 149.27 21.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.909 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 69' ' ' SER . . . -85.94 124.72 6.99 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.475 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 68' ' ' GLY . 50.4 m -35.13 -53.0 0.6 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.847 0.356 . . . . 0.0 110.845 -179.731 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.6 m 52.99 42.7 32.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.84 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -150.8 159.9 28.36 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.467 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.405 ' HG3' ' NE2' ' A' ' 89' ' ' HIS . 36.2 mmt -80.53 147.4 30.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.725 0.298 . . . . 0.0 110.862 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -116.53 143.23 45.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 44.6 t -54.28 128.87 33.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.918 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 24.2 mmt180 -86.9 24.08 1.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.832 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.452 HG23 ' CD1' ' A' ' 136' ' ' LEU . 96.8 t -125.17 -47.11 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.138 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 26.8 p -110.56 -48.12 3.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.895 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 132.35 -34.69 2.47 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.503 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -48.92 176.6 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.835 0.35 . . . . 0.0 110.898 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 14.8 tptm -73.25 119.25 17.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -55.76 164.25 1.17 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.077 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 31.0 t -120.0 -46.72 2.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.805 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -150.54 148.82 20.42 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.549 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -76.65 87.99 3.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.878 0.37 . . . . 0.0 110.869 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 69.3 m-70 -107.08 153.61 22.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.846 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 51.73 32.15 9.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.878 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 57.92 20.93 43.08 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.486 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.407 ' CG1' ' HG2' ' A' ' 138' ' ' MET . 6.2 p -138.0 135.68 45.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.84 0.353 . . . . 0.0 111.12 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.405 ' NE2' ' HG3' ' A' ' 72' ' ' MET . 21.7 m80 -65.63 92.37 0.14 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -119.02 167.72 11.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.045 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 20.2 p -101.67 179.21 4.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -64.16 -49.9 70.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -53.5 -72.72 0.49 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.519 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 90.3 m -40.53 -53.63 2.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.902 0.382 . . . . 0.0 110.9 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 57.5 tttp -38.44 -59.28 0.92 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -52.25 -43.91 57.41 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.457 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.556 ' CZ ' ' HD3' ' A' ' 129' ' ' ARG . 83.4 t80 -56.1 -63.21 1.26 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.831 0.348 . . . . 0.0 110.86 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -45.99 -65.8 0.49 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.413 ' O ' ' N ' ' A' ' 102' ' ' ILE . 35.1 ttt-85 -47.37 -60.35 2.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.822 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 39.4 ttm180 -39.32 -54.39 1.86 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.49 ' O ' ' N ' ' A' ' 105' ' ' LYS . 42.9 m -55.28 -36.95 66.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.135 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.413 ' N ' ' O ' ' A' ' 99' ' ' ARG . 44.9 mm -70.61 -63.69 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.092 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -54.94 -31.12 60.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 58.8 mtp -93.69 -18.6 21.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' A' ' 101' ' ' THR . 20.5 mmmt 56.97 47.26 17.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 28.5 mt -73.44 136.22 44.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.933 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -100.36 153.93 18.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -135.58 178.28 7.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -111.3 139.58 46.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.921 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 1.3 ttmp? -54.89 105.08 0.14 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 12.3 t -92.43 97.16 10.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 114' ' ' SER . 20.6 mm-40 -63.84 -41.99 97.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 52.2 mtt180 -39.37 -27.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.848 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 112' ' ' GLU . 4.0 m 54.75 45.99 25.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 -179.814 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 5.6 m -42.16 147.16 0.25 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.861 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -91.76 111.72 23.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 50.0 mm -67.16 87.67 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.148 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -84.81 152.7 23.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.944 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.46 ' HG3' ' N ' ' A' ' 120' ' ' LYS . 12.0 pttm -63.29 -40.11 96.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.46 ' N ' ' HG3' ' A' ' 119' ' ' LYS . 5.4 mtpm? -55.37 -53.01 61.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -119.6 88.28 2.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.87 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 92.8 mtm-85 -79.38 -40.64 29.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.842 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 35.7 m120 -81.97 44.31 0.83 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 26.8 tptt -90.24 -57.73 2.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 11.9 t -118.39 142.9 47.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.878 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -86.71 -47.06 9.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . 0.448 ' CE2' ' HG3' ' A' ' 131' ' ' GLN . 55.6 t80 -66.78 -67.9 0.42 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.953 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 95.8 m -42.01 -42.74 2.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.883 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.556 ' HD3' ' CZ ' ' A' ' 97' ' ' PHE . 58.2 ttt180 -57.02 -63.29 1.26 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -55.5 -45.17 77.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . 0.448 ' HG3' ' CE2' ' A' ' 127' ' ' TYR . 17.4 mm-40 -48.3 -54.8 12.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 28.2 tttp -46.57 -48.52 19.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.932 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 69.7 m -52.5 -57.73 8.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 83.7 mt -47.46 -45.07 25.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.92 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -55.88 -44.62 78.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.106 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.452 ' CD1' HG23 ' A' ' 76' ' ' VAL . 24.0 mt -60.99 -29.87 69.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 99.49 35.07 4.8 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.492 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' MET . . . . . 0.407 ' HG2' ' CG1' ' A' ' 88' ' ' VAL . 23.4 mtp -66.6 99.09 0.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.772 0.32 . . . . 0.0 110.919 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 19.2 m -44.75 107.18 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.835 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 26.8 p-80 -72.12 -41.54 67.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.846 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . 0.408 ' O ' ' C ' ' A' ' 142' ' ' ALA . 31.3 t30 -57.89 -39.24 77.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . 0.445 ' O ' ' C ' ' A' ' 143' ' ' ILE . . . -37.45 -48.4 0.95 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.115 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' ILE . . . . . 0.445 ' C ' ' O ' ' A' ' 142' ' ' ALA . 51.7 mm -34.02 110.39 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.113 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 15.6 mtp180 -68.58 110.44 4.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.86 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -54.26 -56.39 18.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 109.01 77.65 1.0 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.49 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 37.8 p -71.77 154.23 41.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.891 0.377 . . . . 0.0 110.855 -179.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 96.85 -140.26 14.95 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.51 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 88.86 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.714 2.276 . . . . 0.0 112.332 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 9.7 m -93.61 164.29 13.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.833 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 50.7 m -97.6 112.17 24.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.856 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.379 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.512 -179.999 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 62.5 p -143.53 175.22 10.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.859 0.362 . . . . 0.0 110.854 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 99.5 p -109.48 123.43 49.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -136.59 -129.45 2.8 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.507 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.3 m -100.02 40.34 1.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.874 0.369 . . . . 0.0 110.83 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 36.5 m -60.92 -57.29 13.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -92.4 162.34 26.87 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.498 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.03 157.07 38.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.738 0.304 . . . . 0.0 110.837 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -150.13 145.24 26.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . 0.528 ' O ' ' N ' ' A' ' 78' ' ' GLY . 22.3 t -72.7 110.07 6.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 35.4 mtt-85 -49.32 -35.15 17.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.434 HG23 ' CD1' ' A' ' 136' ' ' LEU . 5.2 t -61.84 -71.67 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.15 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 28.7 p -98.7 -45.28 6.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.836 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.528 ' N ' ' O ' ' A' ' 74' ' ' CYS . . . 125.43 -32.37 3.93 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.5 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -44.32 159.61 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.898 0.38 . . . . 0.0 110.861 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -42.45 127.66 3.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -75.01 152.52 38.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.112 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 19.2 m -104.39 -43.89 5.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -165.45 170.22 40.25 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.446 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.444 ' CE2' ' HA2' ' A' ' 87' ' ' GLY . 6.5 t80 -87.71 89.18 7.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.905 0.383 . . . . 0.0 110.884 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 65.8 m-70 -110.45 132.78 53.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 69.16 29.64 4.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.95 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.444 ' HA2' ' CE2' ' A' ' 84' ' ' PHE . . . 64.05 12.66 50.22 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.525 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.462 HG11 ' CG ' ' A' ' 138' ' ' MET . 7.2 p -134.32 140.21 46.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.866 0.365 . . . . 0.0 111.119 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 9.1 m80 -71.61 100.21 2.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -120.38 161.03 21.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.107 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 16.4 p -101.2 155.81 17.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -47.46 -46.13 26.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.912 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -53.5 -42.48 65.91 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.458 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 60.9 m -79.1 -57.29 3.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.879 0.371 . . . . 0.0 110.849 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -40.19 -53.67 2.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -57.0 -37.91 82.11 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.494 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.472 ' CE2' ' CG ' ' A' ' 129' ' ' ARG . 4.1 t80 -65.01 -63.25 1.15 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.915 0.388 . . . . 0.0 110.931 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.45 ' N ' ' CD2' ' A' ' 97' ' ' PHE . 42.8 t80 -49.06 -56.93 7.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.889 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 27.5 ttm180 -53.37 -53.48 50.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 30.0 ttp180 -50.96 -46.14 61.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.825 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 24.4 m -61.93 -29.13 70.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.14 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 30.8 mm -79.54 -62.9 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.121 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 1.6 ptp180 -54.0 -25.12 19.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 36.6 mtp -102.29 -9.13 20.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 56.8 mttp 47.49 45.04 17.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 37.1 mt -79.96 176.78 9.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.937 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -146.29 155.18 42.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.942 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.407 ' CE2' ' HB3' ' A' ' 126' ' ' GLN . 46.4 m-85 -132.52 134.76 45.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -47.52 131.92 13.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 22.9 ttpt -51.86 115.59 1.74 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 42.8 t -94.78 96.8 9.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -62.43 -31.91 72.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 6.2 mpt_? -52.84 -21.37 4.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.8 m 46.3 47.69 13.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.839 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . 0.433 ' N ' ' SG ' ' A' ' 128' ' ' CYS . 17.7 m -42.45 157.2 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 17.0 mtpp -103.78 113.12 26.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.935 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 23.6 mm -63.26 93.6 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.107 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -101.81 144.81 30.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 26.0 ttpt -54.59 -43.13 71.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.476 ' O ' ' CG ' ' A' ' 121' ' ' ASN . 0.0 OUTLIER -58.38 -37.96 76.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 179.901 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . 0.476 ' CG ' ' O ' ' A' ' 120' ' ' LYS . 13.6 m120 -170.82 121.39 0.57 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 6.3 mpt_? -72.14 1.6 7.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . 0.424 ' O ' ' C ' ' A' ' 124' ' ' LYS . 7.8 t-20 75.08 36.09 0.56 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 123' ' ' ASN . 7.5 mtmp? 35.35 37.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 2.7 t -109.57 126.58 53.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . 0.407 ' HB3' ' CE2' ' A' ' 108' ' ' TYR . 2.9 mp0 -85.92 -43.98 12.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . 0.441 ' CE2' ' HG3' ' A' ' 131' ' ' GLN . 64.6 t80 -58.57 -66.82 0.43 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . 0.433 ' SG ' ' N ' ' A' ' 115' ' ' CYS . 61.6 m -43.59 -32.74 1.0 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.472 ' CG ' ' CE2' ' A' ' 97' ' ' PHE . 7.7 tpp85 -66.49 -44.34 82.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.851 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -68.91 -44.08 73.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . 0.441 ' HG3' ' CE2' ' A' ' 127' ' ' TYR . 53.8 mm-40 -50.8 -55.46 16.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 45.7 tttt -52.46 -56.94 11.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.917 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 51.7 m -42.8 -42.63 3.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 98.4 mt -67.48 -42.58 82.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.949 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -65.12 -35.95 82.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.088 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.434 ' CD1' HG23 ' A' ' 76' ' ' VAL . 72.4 mt -60.6 -27.25 67.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 109.3 6.69 29.23 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.442 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' MET . . . . . 0.462 ' CG ' HG11 ' A' ' 88' ' ' VAL . 9.3 mtt -53.14 115.32 1.82 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.823 0.344 . . . . 0.0 110.894 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 44.0 p -76.73 121.7 23.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.87 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . 0.439 ' CG ' ' N ' ' A' ' 141' ' ' ASN . 51.2 p-80 -69.11 -47.46 65.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . 0.439 ' N ' ' CG ' ' A' ' 140' ' ' HIS . 0.5 OUTLIER -44.54 -37.23 3.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . 0.451 ' O ' ' C ' ' A' ' 143' ' ' ILE . . . -44.76 -43.03 8.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.139 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' ILE . . . . . 0.451 ' C ' ' O ' ' A' ' 142' ' ' ALA . 21.6 mm -33.8 108.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.12 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 14.5 mmt180 -133.05 175.17 9.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.866 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 50.82 43.89 28.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -60.98 -63.13 5.2 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.482 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 35.9 t -153.38 147.7 25.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.884 0.373 . . . . 0.0 110.904 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 151.97 95.47 0.12 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.483 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 160.65 48.93 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.648 2.232 . . . . 0.0 112.324 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 2.2 t -153.41 132.31 12.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 3.6 m -73.08 130.89 41.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.891 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.503 -179.975 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.9 m -51.97 106.93 0.16 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.893 0.378 . . . . 0.0 110.84 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 73.3 m -91.51 42.54 1.11 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.902 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 154.31 110.74 0.39 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.692 -0.765 . . . . 0.0 112.446 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 57.9 m -134.43 113.38 11.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.893 0.378 . . . . 0.0 110.839 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 61.7 p -45.43 120.19 2.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.859 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -101.26 -55.95 0.89 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.477 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -56.88 124.07 17.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.777 0.323 . . . . 0.0 110.866 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -135.02 152.24 51.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.931 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 42.2 t -58.98 150.89 23.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.927 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 24.3 mmm180 -100.43 -29.41 12.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.455 HG23 ' CD1' ' A' ' 136' ' ' LEU . 36.2 t -71.38 -62.71 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.12 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 14.8 p -97.97 -40.87 8.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.903 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 79' ' ' ASP . . . 122.24 -42.18 1.69 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.441 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.441 ' O ' ' C ' ' A' ' 80' ' ' LYS . 9.5 t70 -36.8 152.04 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.856 0.36 . . . . 0.0 110.843 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 79' ' ' ASP . 13.2 ptmt -33.99 141.87 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -91.94 122.14 34.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.132 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.0 t -73.66 -43.73 58.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 -179.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -158.67 -165.55 16.06 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.51 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -117.24 90.46 3.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.839 0.352 . . . . 0.0 110.896 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 56.3 m-70 -107.65 144.42 34.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 61.2 29.74 18.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.954 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 59.76 19.77 50.44 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.483 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.425 HG11 ' CG ' ' A' ' 138' ' ' MET . 7.7 p -139.8 129.75 29.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.893 0.378 . . . . 0.0 111.113 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 17.7 m80 -58.24 102.43 0.11 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -131.41 153.09 50.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.128 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 17.6 p -92.29 172.98 8.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.845 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -61.21 -52.48 64.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -46.23 -69.58 0.81 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.445 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . 0.417 ' O ' ' C ' ' A' ' 95' ' ' LYS . 93.6 m -47.41 -55.5 8.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.895 0.378 . . . . 0.0 110.886 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 94' ' ' CYS . 6.0 ttpm? -36.92 -59.53 0.69 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -44.02 -44.98 7.59 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.471 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.512 ' CE2' ' HG2' ' A' ' 129' ' ' ARG . 62.3 t80 -61.3 -66.41 0.54 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.932 0.396 . . . . 0.0 110.927 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -48.26 -61.47 1.97 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.936 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 28.0 ttp180 -43.26 -58.94 2.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.853 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 18.9 ttm180 -46.69 -41.75 15.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 26.6 m -67.35 -25.62 66.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.152 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 21.6 mm -83.14 -60.83 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.119 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -49.77 -42.82 47.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' MET . . . . . 0.459 ' O ' ' C ' ' A' ' 105' ' ' LYS . 25.5 mmm -99.78 11.41 39.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.459 ' C ' ' O ' ' A' ' 104' ' ' MET . 44.7 mmtt 33.79 45.28 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 13.1 mt -64.33 126.03 26.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -100.04 158.1 16.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -141.18 175.23 9.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.937 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -96.81 130.99 43.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.509 ' HA ' ' CZ ' ' A' ' 127' ' ' TYR . 63.8 tttt -46.42 133.0 10.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 48.0 t -112.25 102.92 11.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 113' ' ' ARG . 37.2 mt-10 -63.67 -43.95 95.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.917 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.435 ' C ' ' O ' ' A' ' 112' ' ' GLU . 48.7 mtp180 -35.24 -35.57 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.861 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.416 ' N ' ' O ' ' A' ' 112' ' ' GLU . 9.4 t 62.84 45.9 5.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.815 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 4.6 m -47.18 159.28 0.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.839 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 11.9 ptpt -113.21 116.68 30.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.866 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 8.7 mm -74.4 117.5 18.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.195 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 37.3 mm-40 -123.48 159.1 29.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.873 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.435 ' HG3' ' N ' ' A' ' 120' ' ' LYS . 10.6 ptpp? -56.45 -50.38 71.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.435 ' N ' ' HG3' ' A' ' 119' ' ' LYS . 34.0 mmtp -47.81 -54.98 10.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.855 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -124.3 90.38 3.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.842 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 54.7 mtm180 -80.92 -44.63 17.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -80.14 52.34 1.53 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 5.0 mmmm -89.57 -60.12 2.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.934 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 40.2 t -116.97 149.2 40.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -88.28 -40.76 13.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.917 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . 0.509 ' CZ ' ' HA ' ' A' ' 110' ' ' LYS . 33.1 t80 -77.36 -69.94 0.5 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.947 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . 0.409 ' C ' ' O ' ' A' ' 127' ' ' TYR . 90.0 m -36.56 -44.76 0.47 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.886 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.512 ' HG2' ' CE2' ' A' ' 97' ' ' PHE . 40.5 ttt85 -52.29 -57.88 8.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.852 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -57.91 -47.13 83.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 25.0 mm-40 -49.57 -55.61 12.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.942 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 20.0 tttp -41.6 -54.34 3.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.948 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 36.1 m -46.84 -58.65 3.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 66.0 mt -49.95 -44.9 50.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -67.99 -32.22 72.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.089 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.455 ' CD1' HG23 ' A' ' 76' ' ' VAL . 25.8 mt -65.94 -27.81 68.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.947 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 116.63 22.97 4.19 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.451 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' MET . . . . . 0.425 ' CG ' HG11 ' A' ' 88' ' ' VAL . 15.7 mtt -75.36 177.02 6.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.807 0.337 . . . . 0.0 110.828 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 3.1 m -156.56 171.56 20.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 21.1 p80 -117.58 -174.91 2.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . 0.442 ' CG ' ' O ' ' A' ' 141' ' ' ASN . 28.6 t30 51.9 34.05 12.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -124.01 -35.92 2.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.139 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' ILE . . . . . . . . . . . . . 18.5 mt -42.96 123.41 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.155 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 10.4 tpp180 -92.55 131.48 37.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -148.92 142.06 24.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -46.86 -69.81 0.8 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.489 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 23.0 t -91.95 158.34 16.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.846 0.355 . . . . 0.0 110.882 -179.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . 0.513 ' C ' ' H ' ' A' ' 150' ' ' SER . . . -102.94 -72.44 0.92 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.491 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 18.79 0.19 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.654 2.236 . . . . 0.0 112.332 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' SER . . . . . 0.513 ' H ' ' C ' ' A' ' 148' ' ' GLY . 27.9 t -75.31 55.4 0.77 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.861 -179.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 66.9 p -175.56 114.0 0.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.853 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.509 179.986 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.456 -0.257 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 44.4 t -98.94 131.59 44.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.863 0.363 . . . . 0.0 110.857 -179.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 31.7 m -64.16 112.03 2.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.851 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 47.08 82.35 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.473 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 87.5 p -78.67 46.33 0.65 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.906 0.384 . . . . 0.0 110.864 -179.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.8 m -58.12 -44.97 88.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.884 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 69.45 -131.66 24.53 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.444 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 2.5 mpp? -119.03 117.8 29.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.712 0.291 . . . . 0.0 110.894 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -103.24 169.2 8.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.889 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 47.2 t -79.68 130.04 35.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.429 ' O ' ' CD1' ' A' ' 136' ' ' LEU . 32.0 mmt180 -84.72 27.13 0.76 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.834 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 59.2 t -131.35 -44.23 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.144 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 29.0 p -117.29 -47.56 2.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 131.21 -37.07 2.14 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.501 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -47.71 154.26 0.5 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.826 0.346 . . . . 0.0 110.916 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -44.97 127.85 6.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.89 126.58 30.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.9 m -75.2 -49.58 18.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -151.42 -154.6 6.62 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.455 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -127.01 92.82 3.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.889 0.376 . . . . 0.0 110.89 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 60.3 m-70 -111.17 156.47 21.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.864 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.418 ' CE2' ' CD2' ' A' ' 98' ' ' PHE . 10.8 m-85 50.58 27.41 2.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.85 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 59.99 26.53 63.36 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.482 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.412 ' O ' ' N ' ' A' ' 90' ' ' ALA . 9.9 p -142.41 123.98 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.848 0.356 . . . . 0.0 111.154 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 12.8 m80 -52.76 90.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.837 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.412 ' N ' ' O ' ' A' ' 88' ' ' VAL . . . -120.6 169.03 10.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.095 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 15.4 p -105.23 172.15 6.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.854 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -59.45 -53.81 53.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.89 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -43.78 -63.55 2.19 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.513 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . 0.433 ' O ' ' C ' ' A' ' 95' ' ' LYS . 73.3 m -57.95 -53.83 53.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.953 0.406 . . . . 0.0 110.917 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 94' ' ' CYS . 0.6 OUTLIER -35.58 -58.24 0.6 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.874 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -57.12 -42.24 93.07 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.488 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.576 ' CZ ' ' HD3' ' A' ' 129' ' ' ARG . 47.1 t80 -56.15 -57.13 13.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.913 0.387 . . . . 0.0 110.895 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.418 ' CD2' ' CE2' ' A' ' 86' ' ' TYR . 74.5 t80 -49.74 -61.44 2.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.895 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 20.7 ttp180 -53.06 -50.91 63.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.843 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 22.5 ttp180 -50.61 -42.56 56.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 72.8 m -64.82 -34.83 79.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.14 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.498 ' O ' ' N ' ' A' ' 105' ' ' LYS . 28.3 mm -74.78 -66.01 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.094 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.439 ' HG3' ' N ' ' A' ' 104' ' ' MET . 0.4 OUTLIER -40.54 -38.2 0.82 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.876 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' MET . . . . . 0.472 ' HE3' ' CD2' ' A' ' 106' ' ' LEU . 5.8 mtm -91.77 -21.1 20.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 102' ' ' ILE . 7.4 mmmm 62.05 48.17 5.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.472 ' CD2' ' HE3' ' A' ' 104' ' ' MET . 14.4 mt -75.48 146.54 40.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -120.47 149.85 41.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.89 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -137.41 157.92 45.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.945 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -69.87 167.65 16.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.846 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 11.4 tppt? -82.77 111.64 18.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.899 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 23.0 t -97.5 92.92 6.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -61.86 -38.15 87.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 34.5 mtt85 -38.68 -34.53 0.15 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.892 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 33.9 m 61.61 45.71 7.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 7.6 m -39.69 146.77 0.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 60.8 tttt -95.86 100.81 12.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.894 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 32.9 mm -63.31 97.74 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.178 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 16.9 mm-40 -100.0 -179.34 4.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 43.3 tttm -76.56 -41.94 44.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 74.8 mttt -62.34 -53.04 60.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.961 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -105.61 57.93 0.67 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 17.3 mtm180 -55.24 -53.94 49.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 10.1 p30 -86.9 52.68 2.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 50.3 tttt -84.01 -62.76 1.49 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 48.8 t -116.38 152.36 34.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -87.39 -63.34 1.32 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . 0.403 ' O ' ' N ' ' A' ' 130' ' ' PHE . 53.9 t80 -54.37 -67.15 0.29 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.961 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 20.7 m -38.14 -43.62 0.77 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.851 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.576 ' HD3' ' CZ ' ' A' ' 97' ' ' PHE . 22.8 ttt180 -61.74 -46.11 91.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.543 ' CE2' HD11 ' A' ' 134' ' ' LEU . 81.7 t80 -67.24 -43.2 82.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.947 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -55.62 -50.0 71.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.9 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 61.9 tttt -47.52 -46.06 27.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 9.9 m -57.4 -48.05 80.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . 0.543 HD11 ' CE2' ' A' ' 130' ' ' PHE . 19.7 mt -61.76 -48.73 79.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.92 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -57.89 -41.09 81.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.089 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.429 ' CD1' ' O ' ' A' ' 75' ' ' ARG . 59.2 mt -57.67 -30.1 65.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 111.45 31.38 2.81 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.484 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 9.1 mtt -74.49 123.8 25.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.747 0.308 . . . . 0.0 110.91 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 27.3 m -87.8 129.8 35.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -82.4 -45.35 14.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -65.88 -26.79 67.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -82.06 38.53 0.53 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.075 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' ILE . . . . . . . . . . . . . 77.4 mt -115.86 81.95 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.116 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 62.8 mmt-85 -119.78 -45.31 2.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -60.39 124.11 19.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.854 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 175.37 110.91 0.27 Allowed Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.465 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 67.6 m -107.7 88.67 2.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.891 0.377 . . . . 0.0 110.885 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -164.92 99.3 0.16 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.496 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.85 86.64 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.639 2.226 . . . . 0.0 112.348 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 6.9 t -110.72 134.29 52.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 31.3 t -140.66 155.24 46.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.829 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.468 179.995 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.509 -0.237 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.3 m -108.52 -46.09 3.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.924 0.392 . . . . 0.0 110.854 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 10.6 t -89.99 167.28 12.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 117.93 45.14 0.51 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.508 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 34.9 p -96.17 90.44 5.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.847 0.356 . . . . 0.0 110.867 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 87.9 p -69.24 142.76 54.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -163.46 -46.01 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.461 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.448 ' SD ' ' CD2' ' A' ' 89' ' ' HIS . 19.3 tpp -130.26 84.88 2.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.749 0.309 . . . . 0.0 110.867 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -147.0 133.62 19.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 33.7 t -42.86 136.25 2.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 21.5 mmt180 -92.05 7.61 41.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.1 t -108.65 -60.72 2.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.104 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 28.6 p -95.34 -42.13 8.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 125.53 -39.25 2.09 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.476 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -46.96 158.01 0.14 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.834 0.35 . . . . 0.0 110.902 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 18.1 ttpt -40.78 138.31 1.03 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -81.64 107.38 14.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.116 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 13.3 t -52.75 -57.91 8.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -149.31 -153.72 6.13 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.527 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.55 ' CE2' ' HA2' ' A' ' 87' ' ' GLY . 25.7 t80 -123.0 88.3 2.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.824 0.345 . . . . 0.0 110.86 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.567 ' CD2' ' HE3' ' A' ' 95' ' ' LYS . 66.1 m-70 -104.55 151.89 23.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.795 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 50.62 31.5 5.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.55 ' HA2' ' CE2' ' A' ' 84' ' ' PHE . . . 57.7 26.75 57.97 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.463 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.452 ' CG1' ' HE2' ' A' ' 138' ' ' MET . 10.1 p -141.44 125.75 16.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.871 0.367 . . . . 0.0 111.135 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.448 ' CD2' ' SD ' ' A' ' 72' ' ' MET . 11.2 m80 -55.42 92.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -124.63 167.21 14.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.092 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 16.7 p -100.31 176.23 5.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -64.37 -45.03 89.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -53.19 -72.45 0.53 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.512 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . 0.409 ' O ' ' C ' ' A' ' 95' ' ' LYS . 78.3 m -44.22 -51.82 7.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.904 0.383 . . . . 0.0 110.876 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.567 ' HE3' ' CD2' ' A' ' 85' ' ' HIS . 10.0 ttmt -37.23 -54.1 1.04 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.925 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -55.76 -40.05 78.87 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.47 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.404 ' N ' ' O ' ' A' ' 94' ' ' CYS . 51.7 t80 -58.53 -55.99 27.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.861 0.363 . . . . 0.0 110.891 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -53.24 -61.42 2.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.913 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 16.3 tpt180 -49.35 -58.82 4.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.83 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 11.3 ttp180 -42.99 -52.12 5.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.894 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 36.3 m -58.11 -34.48 70.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.087 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 48.0 mm -74.71 -64.48 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.136 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 16.8 ptt180 -51.74 -29.83 20.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.839 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 30.6 mtp -93.27 -14.59 26.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 37.1 mttm 55.23 45.11 26.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 51.0 mt -79.6 140.22 37.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.584 ' O ' ' CD1' ' A' ' 108' ' ' TYR . 14.3 mm-40 -111.47 168.65 9.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.584 ' CD1' ' O ' ' A' ' 107' ' ' GLU . 38.1 m-85 -151.38 165.37 34.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -91.09 138.23 31.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.908 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.45 ' HA ' ' CE1' ' A' ' 127' ' ' TYR . 13.1 ttmt -51.75 110.65 0.49 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 15.3 t -94.97 95.24 8.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.858 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 113' ' ' ARG . 46.3 mt-10 -52.66 -48.56 66.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.435 ' C ' ' O ' ' A' ' 112' ' ' GLU . 3.5 mmp_? -34.85 -36.18 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.902 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 115' ' ' CYS . 24.1 p 57.87 43.08 22.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.878 -179.796 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . 0.488 ' N ' ' SG ' ' A' ' 128' ' ' CYS . 5.3 m -35.54 152.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.848 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 32.3 mtmt -109.6 108.89 19.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.871 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 33.6 mm -62.22 116.9 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.16 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 3.2 tp-100 -125.55 158.71 33.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.908 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 15.0 tptp -54.43 -52.26 62.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 3.5 ttmm -45.44 -48.29 13.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.922 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 -125.99 81.63 2.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 49.6 mtt180 -65.69 -54.5 26.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -88.79 88.8 7.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 11.4 tppt? -123.04 -63.79 1.23 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 23.3 t -115.54 140.62 49.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.883 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -85.2 -46.41 11.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.932 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . 0.45 ' CE1' ' HA ' ' A' ' 110' ' ' LYS . 75.8 t80 -61.17 -59.53 5.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.929 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' CYS . . . . . 0.488 ' SG ' ' N ' ' A' ' 115' ' ' CYS . 99.3 m -52.08 -57.73 8.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.911 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 7.0 tpt180 -39.87 -48.45 2.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.837 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 40.4 t80 -69.32 -56.33 7.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 16.5 mm-40 -44.71 -53.0 7.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.93 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 51.6 tttt -43.4 -51.86 6.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.867 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 12.1 m -51.34 -52.76 42.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.858 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 47.7 mt -50.07 -49.21 52.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.13 -38.28 88.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.064 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.403 ' HB3' ' CG2' ' A' ' 88' ' ' VAL . 59.2 mt -58.99 -29.81 67.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.897 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 118.34 29.27 1.97 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.523 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' MET . . . . . 0.452 ' HE2' ' CG1' ' A' ' 88' ' ' VAL . 6.5 mtt -79.88 176.66 9.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.795 0.331 . . . . 0.0 110.875 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 12.9 t -156.94 147.62 21.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 50.0 p-80 -95.87 -35.07 11.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.856 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 42.8 p-10 -85.48 38.0 0.72 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.87 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . 0.455 ' O ' ' C ' ' A' ' 143' ' ' ILE . . . -126.16 -44.22 1.76 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.078 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' ILE . . . . . 0.455 ' C ' ' O ' ' A' ' 142' ' ' ALA . 3.8 mp -32.48 110.89 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 23.8 ttm180 -87.76 -47.81 8.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.86 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -85.88 127.36 34.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 167.11 76.92 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.507 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 74.4 m -95.36 129.04 42.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.854 0.359 . . . . 0.0 110.932 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -99.04 117.81 5.98 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.522 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 167.23 25.08 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.696 2.264 . . . . 0.0 112.331 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 2.7 m -105.35 41.85 1.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 89.7 p -107.75 42.46 1.34 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.814 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.476 -179.962 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.923 0.392 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 74' ' ' CYS . . . . . 0.416 ' N ' ' HB2' ' A' ' 81' ' ' ALA . 48.4 t -48.46 149.01 1.74 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.836 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 23.4 mmm180 -100.29 -24.02 14.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.891 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 72.1 t -75.0 -59.6 3.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.165 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.414 ' SG ' ' N ' ' A' ' 78' ' ' GLY . 20.1 p -101.46 -45.86 5.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.414 ' N ' ' SG ' ' A' ' 77' ' ' CYS . . . 130.82 -39.57 1.77 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.513 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' ' 80' ' ' LYS . 36.6 t0 -45.06 150.47 0.39 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.884 0.374 . . . . 0.0 110.85 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 79' ' ' ASP . 24.3 mtmt -36.16 133.63 0.46 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.416 ' HB2' ' N ' ' A' ' 74' ' ' CYS . . . -92.47 147.18 23.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.088 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 9.2 t -77.36 -30.62 53.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 156.07 -166.12 32.94 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.454 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.556 ' CZ ' ' HA2' ' A' ' 87' ' ' GLY . 3.4 t80 -66.92 118.05 9.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.888 0.375 . . . . 0.0 110.87 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.477 ' CD2' ' HD3' ' A' ' 95' ' ' LYS . 42.7 m-70 -139.8 110.82 6.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.84 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 63.56 31.4 14.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.937 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.556 ' HA2' ' CZ ' ' A' ' 84' ' ' PHE . . . 88.97 -38.45 3.21 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.489 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 8.9 p -98.56 135.91 31.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.875 0.369 . . . . 0.0 111.122 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 49.0 m80 -73.37 91.48 1.74 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -105.49 163.18 12.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.118 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 22.4 p -92.85 173.32 7.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.854 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -56.01 -50.33 71.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -53.25 -70.35 0.95 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.535 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 83.8 m -47.25 -61.94 1.66 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.937 0.399 . . . . 0.0 110.928 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.477 ' HD3' ' CD2' ' A' ' 85' ' ' HIS . 34.6 ttpt -37.67 -56.4 1.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -47.99 -50.51 21.27 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.469 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.507 ' CG ' ' HD3' ' A' ' 129' ' ' ARG . 78.8 t80 -54.67 -56.06 23.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.863 0.363 . . . . 0.0 110.892 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -48.89 -71.51 0.07 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 30.2 ttm180 -41.05 -49.06 3.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 28.7 ttt-85 -53.28 -51.05 63.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.864 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 85.1 m -57.47 -25.98 60.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.107 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 29.8 mm -84.3 -65.34 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.121 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -50.16 -35.08 24.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.866 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 16.2 mtp -90.17 -18.64 25.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 43.7 mttp 57.43 42.72 24.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 26.6 mt -79.58 143.68 34.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.936 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -107.07 167.57 9.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -147.8 154.42 40.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.939 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -79.69 139.91 37.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.446 ' HA ' ' CZ ' ' A' ' 127' ' ' TYR . 35.7 ttpt -58.17 114.67 2.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 43.8 t -93.93 95.37 9.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 114' ' ' SER . 19.6 mp0 -55.75 -45.38 78.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 40.0 mtt-85 -38.56 -30.27 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 112' ' ' GLU . 46.6 m 54.58 50.38 16.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.841 -179.802 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 6.0 m -45.41 169.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.893 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 61.6 tttt -121.18 109.33 14.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.837 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 23.4 mm -63.06 111.89 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -126.08 160.92 28.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.925 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 7.1 pttp -59.65 -55.6 32.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.44 ' HG3' ' N ' ' A' ' 121' ' ' ASN . 0.1 OUTLIER -48.32 -39.86 23.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 179.875 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 121' ' ' ASN . . . . . 0.44 ' N ' ' HG3' ' A' ' 120' ' ' LYS . 24.3 m-80 -132.73 85.15 2.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' ARG . . . . . 0.436 ' NH1' ' HB2' ' A' ' 122' ' ' ARG . 20.9 mtm105 -89.27 -51.22 5.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 27.6 t30 -79.71 48.98 0.99 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 32.7 tptt -96.31 -64.65 1.03 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 49.2 t -115.03 144.58 43.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -88.35 -64.4 1.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' TYR . . . . . 0.547 ' CE2' ' HG3' ' A' ' 131' ' ' GLN . 76.2 t80 -44.4 -64.03 0.77 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.982 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 59.2 m -45.03 -46.42 11.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.911 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.507 ' HD3' ' CG ' ' A' ' 97' ' ' PHE . 16.8 ttm180 -53.42 -59.36 4.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -56.96 -39.18 74.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.82 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' GLN . . . . . 0.547 ' HG3' ' CE2' ' A' ' 127' ' ' TYR . 14.1 mm-40 -61.05 -55.08 36.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.922 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 58.1 tttt -45.31 -43.23 10.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.896 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 57.8 m -57.18 -46.98 82.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.903 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 29.5 mt -64.76 -45.84 84.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -54.88 -43.39 73.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.076 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 34.0 mt -63.03 -29.66 70.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 109.48 41.36 1.37 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.475 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 2.9 mtt -75.39 116.14 15.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.8 0.333 . . . . 0.0 110.878 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 1.6 t -65.91 117.23 8.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 22.0 p-80 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.859 179.999 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.865 0.364 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 19.6 t -45.11 149.39 0.48 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.88 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 38.0 mmt-85 -99.82 -29.46 12.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 59.2 t -68.45 -50.69 54.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.097 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 30.6 p -104.21 -46.83 4.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.825 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 122.98 -33.52 4.03 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.506 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -49.45 173.18 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.943 0.401 . . . . 0.0 110.836 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 5.9 ttmt -66.86 112.32 4.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.89 176.1 0.33 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.126 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 53.3 p -123.42 -41.71 2.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.811 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -149.52 170.82 29.71 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.449 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.498 ' CE2' ' HA2' ' A' ' 87' ' ' GLY . 9.8 t80 -99.88 89.12 3.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.929 0.395 . . . . 0.0 110.912 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 19.8 m80 -105.94 143.8 33.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.848 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 60.45 26.51 16.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.896 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.498 ' HA2' ' CE2' ' A' ' 84' ' ' PHE . . . 63.18 22.29 64.96 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.463 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.43 HG13 ' O ' ' A' ' 88' ' ' VAL . 12.0 p -139.05 125.57 24.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.827 0.346 . . . . 0.0 111.174 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 35.0 m80 -56.64 96.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.89 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -122.01 156.77 32.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.065 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 17.9 p -96.8 156.36 16.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.482 ' HG3' ' N ' ' A' ' 93' ' ' GLY . 11.6 pt-20 -41.85 -44.84 3.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.482 ' N ' ' HG3' ' A' ' 92' ' ' GLU . . . -55.93 -72.54 0.55 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.538 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' CYS . . . . . 0.436 ' O ' ' C ' ' A' ' 95' ' ' LYS . 67.4 m -52.9 -56.35 16.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.863 0.363 . . . . 0.0 110.846 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 94' ' ' CYS . 0.7 OUTLIER -35.42 -51.73 0.61 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -61.12 -48.06 87.88 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.491 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -44.77 -65.9 0.47 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.926 0.393 . . . . 0.0 110.899 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -41.0 -66.24 0.35 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.839 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 23.9 ttm180 -46.23 -60.48 2.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.841 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 41.3 ttm-85 -39.91 -51.57 2.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.519 HG21 ' CD2' ' A' ' 130' ' ' PHE . 38.9 m -56.8 -39.19 73.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.164 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 21.6 mm -71.43 -58.5 5.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.132 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 2.6 ptp180 -57.6 -30.22 65.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.864 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 39.3 mtp -104.05 0.86 30.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.466 ' N ' ' O ' ' A' ' 101' ' ' THR . 0.1 OUTLIER 41.65 35.12 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.92 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 22.6 mt -57.61 126.68 28.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.926 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -99.09 134.73 41.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -115.91 168.94 9.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.919 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -89.98 130.13 36.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.89 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.504 ' HA ' ' CE2' ' A' ' 127' ' ' TYR . 28.1 tttp -48.69 124.17 7.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.879 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 30.0 t -117.88 98.36 6.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.446 ' O ' ' C ' ' A' ' 113' ' ' ARG . 9.8 mt-10 -64.68 -42.04 95.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.446 ' C ' ' O ' ' A' ' 112' ' ' GLU . 86.8 mtm-85 -34.58 -43.04 0.16 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 115' ' ' CYS . 7.6 t 72.8 39.77 0.64 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 -179.793 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' CYS . . . . . 0.411 ' C ' ' O ' ' A' ' 114' ' ' SER . 7.2 m -37.04 149.01 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.849 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 1.3 mmmm -103.31 110.84 22.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 9.9 mm -64.15 107.57 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.089 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 21.4 mm-40 -110.99 165.98 11.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.954 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 26.1 ttpp -60.64 -50.14 74.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 32.8 mmtm -58.74 -50.25 74.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 -117.46 80.08 1.44 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 30.4 ptt180 -88.74 -41.38 12.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 43.9 m-20 -88.89 39.84 0.95 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 44.7 tptt -82.26 -65.88 0.96 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 20.4 t -112.49 131.94 55.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -77.83 -54.91 5.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.921 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' TYR . . . . . 0.504 ' CE2' ' HA ' ' A' ' 110' ' ' LYS . 38.0 t80 -50.3 -65.6 0.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 59.2 m -46.51 -48.82 19.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.915 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 53.0 ttt180 -46.11 -44.46 15.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.519 ' CD2' HG21 ' A' ' 101' ' ' THR . 23.9 t80 -71.49 -52.31 19.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 21.1 mm100 -46.2 -52.21 12.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.935 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 32.1 tttp -44.75 -50.64 9.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 99.5 m -48.83 -54.54 14.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.896 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 93.4 mt -49.1 -52.42 26.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -57.67 -41.96 82.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.149 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 75.8 mt -58.32 -27.6 64.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 107.37 29.44 4.49 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.477 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 9.3 mtt -75.65 116.52 16.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.793 0.33 . . . . 0.0 110.867 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 17.7 m -73.56 106.08 5.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 35.6 p-80 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.847 179.951 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 74' ' ' CYS . 6.2 pt-20 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.867 0.365 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' CYS . . . . . 0.404 ' C ' ' O ' ' A' ' 73' ' ' GLU . 22.7 t -37.99 145.3 0.07 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.889 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 38.5 mmm-85 -96.55 -13.78 22.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 93.6 t -86.06 -56.71 5.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.114 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 31.5 p -96.89 -43.59 7.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 120.3 -30.03 5.74 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.502 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -51.19 174.73 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.92 0.39 . . . . 0.0 110.847 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 10.3 ttpt -69.19 110.75 4.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -54.98 178.6 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.08 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.9 m -119.58 -33.11 4.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.874 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -166.5 -151.22 6.7 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.483 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.482 ' CZ ' ' HA2' ' A' ' 87' ' ' GLY . 2.2 t80 -122.44 119.37 30.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.889 0.376 . . . . 0.0 110.866 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.413 ' CG ' ' HE2' ' A' ' 95' ' ' LYS . 33.5 m-70 -145.87 150.29 35.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.818 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 53.9 35.48 21.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.482 ' HA2' ' CZ ' ' A' ' 84' ' ' PHE . . . 58.05 12.56 11.74 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.449 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 11.0 p -137.62 131.99 44.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.902 0.382 . . . . 0.0 111.084 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 46.6 m80 -64.83 96.53 0.19 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.836 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -115.83 158.0 23.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.093 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 15.5 p -94.8 161.65 14.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.838 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -47.34 -57.37 5.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.9 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -45.63 -72.6 0.36 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.447 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' CYS . . . . . 0.413 ' O ' ' C ' ' A' ' 95' ' ' LYS . 92.7 m -45.06 -52.67 8.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.872 0.367 . . . . 0.0 110.87 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 94' ' ' CYS . 40.6 tttm -36.75 -57.76 0.78 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -54.45 -46.27 73.53 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.497 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -51.97 -67.73 0.23 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.871 0.367 . . . . 0.0 110.867 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.448 ' CZ ' ' HB3' ' A' ' 138' ' ' MET . 69.6 t80 -43.27 -66.59 0.36 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 66.7 ttt-85 -44.06 -61.64 1.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 17.8 ttp180 -46.16 -49.29 17.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 61.1 m -55.79 -27.81 52.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.123 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 47.4 mm -82.37 -61.2 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.164 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.464 ' HD3' ' CG ' ' A' ' 104' ' ' MET . 0.4 OUTLIER -56.54 -23.63 41.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 179.94 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 104' ' ' MET . . . . . 0.464 ' CG ' ' HD3' ' A' ' 103' ' ' ARG . 13.1 mtp -97.89 -5.05 35.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.405 ' HG2' ' C ' ' A' ' 104' ' ' MET . 0.4 OUTLIER 40.37 37.9 0.49 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.905 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.409 ' HG ' ' CB ' ' A' ' 104' ' ' MET . 11.3 mt -67.42 134.77 52.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 55.4 tt0 -95.3 147.91 22.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -128.33 168.63 15.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.877 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -96.13 137.55 35.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.937 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 44.4 tttm -56.46 123.59 15.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 38.2 t -115.43 99.93 7.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.899 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -66.11 -37.56 86.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 73.8 mtt180 -45.05 -24.0 0.2 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.856 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 115' ' ' CYS . 54.1 m 48.38 45.3 20.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.753 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' CYS . . . . . 0.402 ' C ' ' O ' ' A' ' 114' ' ' SER . 8.5 m -37.51 154.05 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.862 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 24.2 tttp -100.83 113.47 26.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.915 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 9.7 mm -71.01 95.15 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.082 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -97.58 161.14 13.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 13.7 ptpt -62.22 -33.66 75.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 9.6 ptmt -90.27 -26.77 19.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.944 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 -118.99 53.35 1.01 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' ARG . . . . . 0.437 ' HG3' ' N ' ' A' ' 123' ' ' ASN . 36.1 ptt180 -85.37 -43.15 13.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 123' ' ' ASN . . . . . 0.437 ' N ' ' HG3' ' A' ' 122' ' ' ARG . 23.2 m120 -83.88 53.44 2.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.905 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 16.5 mtpt -113.11 -64.12 1.35 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.93 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 48.3 t -112.39 136.41 51.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -82.52 -59.72 2.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.967 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -44.88 -70.3 0.11 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 82.2 m -41.27 -38.9 1.24 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.925 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 23.7 ttt85 -55.91 -54.84 39.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.871 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -63.45 -50.16 70.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -47.59 -52.31 18.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 17.9 tttp -47.13 -45.08 22.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 81.6 m -55.89 -54.25 46.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 69.0 mt -56.2 -45.26 79.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -58.89 -42.91 90.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.071 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 76.6 mt -58.17 -29.51 65.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 114.02 26.84 3.66 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.505 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 138' ' ' MET . . . . . 0.448 ' HB3' ' CZ ' ' A' ' 98' ' ' PHE . 5.2 mtt -69.07 126.16 28.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.748 0.308 . . . . 0.0 110.93 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 12.5 t -93.18 123.74 36.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.877 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 41.0 p-80 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 179.959 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.892 0.377 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 45.5 t -46.13 148.74 0.8 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -97.56 -29.18 13.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.922 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.539 HG22 ' CD1' ' A' ' 136' ' ' LEU . 69.0 t -70.85 -63.4 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.117 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.418 ' SG ' ' N ' ' A' ' 78' ' ' GLY . 18.6 p -93.78 -45.42 7.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.842 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.418 ' N ' ' SG ' ' A' ' 77' ' ' CYS . . . 125.32 -40.3 1.9 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.511 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.446 ' O ' ' C ' ' A' ' 80' ' ' LYS . 21.4 t70 -41.95 154.3 0.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.838 0.351 . . . . 0.0 110.899 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 79' ' ' ASP . 0.6 OUTLIER -34.0 143.06 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -92.87 143.05 26.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.133 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 32.2 t -86.35 -56.9 3.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.913 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -150.48 -149.23 4.97 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.505 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.478 ' CE2' ' HA2' ' A' ' 87' ' ' GLY . 21.1 t80 -123.28 93.32 3.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.921 0.391 . . . . 0.0 110.881 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 50.6 m-70 -114.81 144.4 43.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.895 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 57.18 30.05 17.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.946 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.478 ' HA2' ' CE2' ' A' ' 84' ' ' PHE . . . 62.64 17.4 57.41 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.49 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.657 HG21 ' HB3' ' A' ' 136' ' ' LEU . 4.3 p -139.47 136.12 40.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.887 0.375 . . . . 0.0 111.138 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 32.4 m80 -68.54 97.5 0.78 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -119.12 158.69 25.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.084 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' CYS . . . . . 0.446 ' O ' ' CB ' ' A' ' 95' ' ' LYS . 20.2 p -95.14 176.42 6.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.879 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.408 ' CD ' ' H ' ' A' ' 92' ' ' GLU . 26.8 mp0 -57.0 -50.49 72.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -53.41 -70.46 0.92 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.479 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 57.1 m -53.91 -43.42 69.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.935 0.397 . . . . 0.0 110.881 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.446 ' CB ' ' O ' ' A' ' 91' ' ' CYS . 58.1 tttt -44.7 -47.96 10.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.932 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -72.87 -47.39 25.64 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.44 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.486 ' CE2' ' HG2' ' A' ' 129' ' ' ARG . 24.2 t80 -42.81 -57.78 2.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.913 0.387 . . . . 0.0 110.881 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 79.6 t80 -52.53 -61.65 2.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 54.9 ttt180 -47.66 -62.19 1.57 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.866 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 24.6 ttt180 -44.11 -52.16 7.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.837 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.573 HG21 ' CD1' ' A' ' 130' ' ' PHE . 62.9 m -53.31 -31.53 44.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.102 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 25.6 mm -80.09 -64.27 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.158 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -52.64 -25.62 11.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.887 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 4.3 mtp -94.31 -23.83 17.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.868 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 18.5 mmmt 62.01 38.33 14.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 15.3 mt -78.85 140.15 38.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -123.92 151.25 43.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -126.76 178.7 5.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.968 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.436 ' H ' ' CD ' ' A' ' 109' ' ' GLU . 0.0 OUTLIER -89.77 147.23 23.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.89 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 19.9 tttm -57.75 121.98 11.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.935 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 47.1 t -102.99 104.23 14.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.847 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -66.96 -43.08 84.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 50.7 mtp180 -43.01 -28.34 0.26 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.858 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 46.1 m 52.8 48.12 23.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' CYS . . . . . 0.441 ' N ' ' SG ' ' A' ' 128' ' ' CYS . 5.6 m -40.57 146.27 0.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.868 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 48.2 mtpt -97.43 108.83 21.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 29.1 mm -64.26 90.02 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.106 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -104.0 148.79 25.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 10.3 ptpt -47.46 -46.37 26.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 13.7 ptpt -53.13 -50.06 65.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -128.57 79.14 1.89 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 27.6 ptt-85 -88.22 -31.13 19.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -94.99 45.33 1.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 8.3 tmtm? -95.18 -62.38 1.32 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 46.7 t -114.62 149.06 37.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.859 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -88.49 -65.92 0.97 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -39.86 -59.41 1.19 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' CYS . . . . . 0.441 ' SG ' ' N ' ' A' ' 115' ' ' CYS . 67.9 m -50.23 -42.67 52.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.841 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.486 ' HG2' ' CE2' ' A' ' 97' ' ' PHE . 6.6 ttp180 -56.65 -63.38 1.22 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.573 ' CD1' HG21 ' A' ' 101' ' ' THR . 39.3 t80 -51.43 -51.3 56.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 131' ' ' GLN . . . . . 0.47 ' OE1' HD12 ' A' ' 134' ' ' LEU . 8.6 mm100 -45.71 -53.46 9.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.934 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 48.2 tttt -46.08 -48.81 17.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' CYS . . . . . 0.508 ' HA ' HD12 ' A' ' 136' ' ' LEU . 89.4 m -51.99 -53.2 44.45 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.876 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.47 HD12 ' OE1' ' A' ' 131' ' ' GLN . 92.6 mt -50.19 -50.47 49.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.937 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.01 -37.1 85.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.091 179.77 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.657 ' HB3' HG21 ' A' ' 88' ' ' VAL . 78.7 mt -59.39 -27.18 65.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.898 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 107.11 21.07 8.28 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.506 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 9.6 mtt -68.89 110.0 4.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.814 0.34 . . . . 0.0 110.87 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 15.9 m -82.98 132.95 35.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 179.936 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.906 0.384 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 74' ' ' CYS . . . . . 0.415 ' N ' ' HB2' ' A' ' 81' ' ' ALA . 47.6 t -47.25 126.89 10.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.928 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.44 ' O ' HD11 ' A' ' 136' ' ' LEU . 10.9 mmt85 -85.76 26.59 0.95 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 98.9 t -128.64 -43.42 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.122 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.404 ' SG ' ' N ' ' A' ' 78' ' ' GLY . 22.2 p -120.24 -46.44 2.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.404 ' N ' ' SG ' ' A' ' 77' ' ' CYS . . . 134.43 -37.06 2.0 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.481 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -51.4 157.35 1.03 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.887 0.375 . . . . 0.0 110.837 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 23.3 tttt -40.09 133.05 1.78 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.451 ' O ' ' C ' ' A' ' 82' ' ' SER . . . -87.71 101.66 13.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.076 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 81' ' ' ALA . 10.6 t -34.26 -54.38 0.51 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 173.21 -146.21 8.83 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.438 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.566 ' CZ ' ' HA2' ' A' ' 87' ' ' GLY . 91.5 t80 -85.28 123.48 30.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.915 0.388 . . . . 0.0 110.883 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 22.2 m-70 -152.7 131.76 12.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 54.01 25.56 5.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.909 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.566 ' HA2' ' CZ ' ' A' ' 84' ' ' PHE . . . 83.88 -22.23 8.35 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.468 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.886 HG21 HD13 ' A' ' 136' ' ' LEU . 11.6 p -108.19 133.9 51.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.844 0.354 . . . . 0.0 111.157 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 33.0 m80 -72.18 85.41 1.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -107.48 173.27 6.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.121 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 20.3 p -99.09 155.82 17.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -49.4 -27.4 4.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.926 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -72.45 -36.46 59.13 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.519 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 68.3 m -85.54 -35.72 20.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.877 0.37 . . . . 0.0 110.857 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -49.63 -46.62 49.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -61.83 -52.61 49.29 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.511 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -42.0 -67.22 0.28 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.922 0.391 . . . . 0.0 110.877 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -38.51 -68.94 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.899 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 14.6 ttt85 -41.17 -65.28 0.45 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.841 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 58.4 ttt180 -39.54 -52.75 2.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.563 HG21 ' CD1' ' A' ' 130' ' ' PHE . 27.5 m -51.24 -45.23 61.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.122 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 25.1 mm -67.09 -64.71 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 2.0 ptp180 -49.93 -29.05 7.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.847 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 14.5 mtp -96.32 -15.37 21.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 101' ' ' THR . 23.7 mmmt 50.63 42.8 27.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.884 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 33.7 mt -70.51 118.01 12.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -92.26 133.57 35.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -118.94 172.08 7.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.949 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.433 ' HG2' ' N ' ' A' ' 110' ' ' LYS . 22.4 tt0 -95.3 146.83 24.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.433 ' N ' ' HG2' ' A' ' 109' ' ' GLU . 11.5 tppt? -59.65 125.92 25.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.857 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 48.5 t -112.7 100.65 8.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -67.75 -30.43 69.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 21.8 mmt180 -51.09 -20.34 1.42 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.893 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 115' ' ' CYS . 1.8 m 46.3 47.2 13.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.847 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' CYS . . . . . 0.418 ' C ' ' O ' ' A' ' 114' ' ' SER . 14.5 m -37.12 152.78 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.904 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 7.5 mtpm? -99.49 101.82 13.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 39.5 mm -65.91 109.73 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.158 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -119.68 166.51 13.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 12.3 ptpt -69.63 -20.79 63.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.869 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 10.3 tppt? -77.94 -42.69 32.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.918 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 15.4 p-10 -133.99 66.41 1.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.881 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 21.2 ptt180 -76.37 -22.7 54.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 -100.38 47.8 0.93 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.853 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 6.0 tptm -100.52 -57.33 2.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 30.8 t -117.19 143.67 45.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -86.55 -59.99 2.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 49.8 t80 -45.82 -71.14 0.08 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 93.4 m -39.58 -51.86 2.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.867 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 53.2 ttt180 -47.58 -49.72 25.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.563 ' CD1' HG21 ' A' ' 101' ' ' THR . 40.7 t80 -69.6 -41.8 75.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 131' ' ' GLN . . . . . 0.428 ' HA ' HD12 ' A' ' 134' ' ' LEU . 13.1 mm100 -56.27 -59.36 5.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.936 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 24.9 tttp -40.71 -49.53 3.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.863 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 37.8 m -53.14 -51.53 61.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.873 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.428 HD12 ' HA ' ' A' ' 131' ' ' GLN . 25.9 mt -53.99 -56.19 20.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.956 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -49.69 -36.88 26.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.039 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.886 HD13 HG21 ' A' ' 88' ' ' VAL . 84.1 mt -68.3 -25.06 64.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.943 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 137' ' ' GLY . . . . . 0.443 ' O ' ' C ' ' A' ' 138' ' ' MET . . . 121.08 -12.68 9.77 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.457 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 138' ' ' MET . . . . . 0.443 ' C ' ' O ' ' A' ' 137' ' ' GLY . 2.4 mmt -34.16 126.88 0.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.786 0.327 . . . . 0.0 110.884 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 78.5 p -114.61 129.49 56.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.85 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.898 0.38 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 74' ' ' CYS . . . . . 0.436 ' SG ' ' HB ' ' A' ' 76' ' ' VAL . 42.9 t -65.0 116.69 6.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -58.05 -27.08 63.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.466 HG22 ' CD1' ' A' ' 136' ' ' LEU . 15.6 t -69.19 -71.56 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.098 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 31.8 p -96.6 -47.81 5.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 131.91 -36.41 2.22 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.515 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -39.75 158.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.907 0.384 . . . . 0.0 110.839 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 18.5 mttm -42.32 126.11 3.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -77.5 111.84 13.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.126 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 39.0 t -54.72 -55.45 29.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.796 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -158.33 -138.75 2.55 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.457 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -124.93 91.79 3.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.884 0.374 . . . . 0.0 110.857 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 45.7 m-70 -106.32 141.3 37.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.854 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 42.1 m-85 54.77 41.96 31.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.905 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 54.84 21.45 23.13 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.488 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.456 HG11 ' HG2' ' A' ' 138' ' ' MET . 6.6 p -140.54 136.3 35.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.851 0.358 . . . . 0.0 111.092 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 38.9 m80 -70.93 87.78 0.73 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.826 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -116.62 171.6 7.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.143 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 16.4 p -104.04 172.37 6.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.869 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -61.6 -50.83 71.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -46.86 -47.59 19.03 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.509 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 99.8 m -74.81 -49.79 19.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.908 0.385 . . . . 0.0 110.869 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 21.1 tttp -42.85 -60.31 1.64 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -53.86 -40.96 66.12 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.489 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -59.75 -55.57 32.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.834 0.349 . . . . 0.0 110.875 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -51.3 -54.87 21.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 15.7 ttm180 -56.97 -58.53 7.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.852 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 14.4 ttt180 -42.58 -48.49 5.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.439 ' O ' ' N ' ' A' ' 105' ' ' LYS . 47.3 m -57.1 -42.82 81.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.157 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 48.0 mm -66.65 -63.91 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.112 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 29.1 ptt85 -51.01 -40.42 58.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.81 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 62.8 mtp -84.82 -15.98 42.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.876 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 101' ' ' THR . 15.6 mmtp 53.59 47.34 24.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 24.7 mt -77.48 123.8 27.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -93.82 136.63 33.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.873 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -117.36 158.46 24.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.955 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -85.04 119.34 25.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.909 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.562 ' HA ' ' CE2' ' A' ' 127' ' ' TYR . 2.4 tmmm? -40.24 117.98 0.85 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.879 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 45.9 t -102.27 93.53 5.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 113' ' ' ARG . 39.3 mt-10 -53.58 -46.58 70.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.862 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 112' ' ' GLU . 65.1 mmt-85 -35.07 -40.45 0.12 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.855 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 9.1 t 66.26 45.03 2.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.873 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 9.0 m -37.9 146.51 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.855 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 60.7 mmtt -91.33 109.19 20.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 38.0 mm -66.55 109.17 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.142 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -118.55 161.65 19.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.447 ' HG3' ' N ' ' A' ' 120' ' ' LYS . 12.7 ptmm? -67.8 -42.72 81.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.447 ' N ' ' HG3' ' A' ' 119' ' ' LYS . 0.0 OUTLIER -54.97 -48.32 73.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.932 179.843 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 67.8 m-20 -131.11 81.44 1.99 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.9 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 28.7 ptt180 -87.72 -31.01 19.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -85.22 47.28 1.39 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.906 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 19.1 ttpp -99.96 -62.22 1.27 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 10.9 t -116.89 142.77 46.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.897 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 16.7 mp0 -88.06 -54.51 4.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.933 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' TYR . . . . . 0.562 ' CE2' ' HA ' ' A' ' 110' ' ' LYS . 64.5 t80 -52.67 -58.03 8.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.915 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 65.7 m -51.35 -48.69 62.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.894 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 6.7 tpp85 -53.19 -54.45 35.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -61.59 -58.51 7.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.884 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' GLN . . . . . 0.53 ' HG3' ' CE1' ' A' ' 127' ' ' TYR . 7.3 mm100 -41.45 -47.55 3.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.935 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 25.1 tttp -49.96 -54.86 17.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.879 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 92.1 m -45.12 -48.88 12.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 66.1 mt -54.34 -49.36 69.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.02 -35.84 81.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.107 179.768 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.466 ' CD1' HG22 ' A' ' 76' ' ' VAL . 89.3 mt -61.64 -26.56 68.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 107.76 29.68 4.3 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.499 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 138' ' ' MET . . . . . 0.456 ' HG2' HG11 ' A' ' 88' ' ' VAL . 3.7 mtt -75.14 105.31 6.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.758 0.314 . . . . 0.0 110.902 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 55.3 p -68.94 115.9 8.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.858 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 23.8 p-80 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 179.964 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.898 0.38 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 74' ' ' CYS . . . . . 0.511 ' O ' ' N ' ' A' ' 78' ' ' GLY . 41.7 t -64.72 110.47 2.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 39.3 mmt-85 -50.67 -33.88 24.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.926 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 10.8 t -62.6 -71.5 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.133 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 24.3 p -97.36 -45.88 6.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.854 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.511 ' N ' ' O ' ' A' ' 74' ' ' CYS . . . 128.48 -36.19 2.52 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.483 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.428 ' O ' ' C ' ' A' ' 80' ' ' LYS . 13.0 t0 -42.0 157.75 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.902 0.382 . . . . 0.0 110.834 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 79' ' ' ASP . 21.8 pttt -35.72 132.35 0.47 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.8 98.21 10.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.103 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 11.9 t -42.35 -50.81 5.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -167.03 -154.68 8.58 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.437 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -109.66 90.91 3.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.921 0.391 . . . . 0.0 110.911 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 68.2 m-70 -107.0 139.11 41.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 58.21 37.39 26.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.945 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 59.42 20.19 50.22 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.499 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 3.2 p -140.75 138.76 35.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.891 0.377 . . . . 0.0 111.079 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 8.2 m80 -71.84 90.73 1.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -116.58 171.52 7.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 18.9 p -102.65 170.25 8.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.878 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -58.78 -49.4 77.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -49.87 -72.39 0.49 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.519 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' CYS . . . . . 0.419 ' O ' ' C ' ' A' ' 95' ' ' LYS . 89.3 m -41.52 -55.45 2.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.897 0.379 . . . . 0.0 110.919 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 94' ' ' CYS . 12.3 ttmm -36.8 -51.07 0.88 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.924 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -55.83 -46.93 81.99 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.513 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.533 ' CE2' ' HG2' ' A' ' 129' ' ' ARG . 68.6 t80 -60.36 -55.68 30.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.859 0.361 . . . . 0.0 110.88 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.502 ' CZ ' ' HB3' ' A' ' 138' ' ' MET . 74.1 t80 -52.37 -61.16 2.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 28.9 ttm180 -52.46 -53.09 50.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 21.1 ttm180 -46.82 -47.78 21.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 27.8 m -61.04 -37.28 82.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.13 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 13.0 mm -72.46 -63.16 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.111 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 23.5 ptt180 -51.91 -38.5 56.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.938 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 41.5 mtp -88.03 -10.89 48.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.868 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 36.5 mtpt 49.57 49.22 20.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.936 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 47.8 mt -84.69 169.0 14.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -144.85 159.43 42.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.465 ' CD1' ' HB3' ' A' ' 126' ' ' GLN . 55.8 m-85 -140.12 170.71 15.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.931 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -77.84 135.61 37.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.916 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.497 ' HA ' ' CZ ' ' A' ' 127' ' ' TYR . 24.6 ttmt -55.1 137.72 45.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 49.0 t -125.05 112.13 16.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -75.69 -37.47 59.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 58.2 mtp85 -43.65 -25.02 0.14 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.869 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 115' ' ' CYS . 7.6 m 51.92 45.4 28.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.83 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' CYS . . . . . 0.409 ' C ' ' O ' ' A' ' 114' ' ' SER . 10.7 m -37.49 152.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 27.7 mttm -97.8 108.49 21.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 30.6 mm -70.21 109.55 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.152 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 65.0 mt-30 -123.47 161.16 25.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.9 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 16.2 ttpp -38.77 -50.96 1.71 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 35.9 mmtt -80.6 -47.93 13.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.921 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -82.86 44.54 0.93 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 32.1 ttp180 -83.12 -50.69 8.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.86 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -90.99 39.43 0.99 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 29.8 tttm -91.3 -56.98 2.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 33.5 t -117.07 145.47 43.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.877 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' GLN . . . . . 0.465 ' HB3' ' CD1' ' A' ' 108' ' ' TYR . 50.7 mt-30 -87.36 -52.38 5.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 127' ' ' TYR . . . . . 0.497 ' CZ ' ' HA ' ' A' ' 110' ' ' LYS . 13.6 t80 -58.13 -65.98 0.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 80.2 m -41.15 -42.71 2.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.912 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.533 ' HG2' ' CE2' ' A' ' 97' ' ' PHE . 19.4 ttt180 -55.9 -47.73 76.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.912 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -72.05 -44.54 63.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' GLN . . . . . 0.42 ' CG ' ' CE2' ' A' ' 127' ' ' TYR . 17.4 mm100 -55.05 -52.95 61.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.877 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 59.5 tttt -46.67 -60.62 2.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 34.2 m -42.32 -56.6 2.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 23.5 mt -56.54 -49.76 73.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -52.53 -36.66 55.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.114 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 81.0 mt -67.75 -24.06 65.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.97 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 104.89 28.64 5.54 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.47 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 138' ' ' MET . . . . . 0.502 ' HB3' ' CZ ' ' A' ' 98' ' ' PHE . 9.2 mtt -69.94 107.41 3.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.812 0.339 . . . . 0.0 110.851 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 14.9 m -76.44 133.0 39.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.88 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 4.9 p80 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.846 179.964 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 26.3 pm0 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.908 0.385 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 74' ' ' CYS . . . . . 0.469 ' N ' ' HB2' ' A' ' 81' ' ' ALA . 48.7 t -46.96 136.63 8.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.844 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 30.6 mmt180 -92.6 -16.95 25.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.846 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.529 HG22 ' CD1' ' A' ' 136' ' ' LEU . 45.2 t -79.21 -56.64 6.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.096 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.418 ' SG ' ' N ' ' A' ' 78' ' ' GLY . 16.1 p -106.19 -44.78 4.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.418 ' N ' ' SG ' ' A' ' 77' ' ' CYS . . . 132.55 -44.74 1.18 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.471 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 80' ' ' LYS . 29.5 t70 -41.66 149.49 0.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.891 0.377 . . . . 0.0 110.863 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 79' ' ' ASP . 7.8 ttpp -34.45 135.2 0.18 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.469 ' HB2' ' N ' ' A' ' 74' ' ' CYS . . . -87.96 104.15 16.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.087 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 13.4 t -42.95 -47.96 5.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -165.99 -161.3 14.73 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.531 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -105.89 94.59 5.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.916 0.389 . . . . 0.0 110.808 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 35.1 m-70 -110.83 145.1 38.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.843 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 55.52 30.93 16.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 61.95 16.2 51.64 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.532 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.595 HG21 ' HB3' ' A' ' 136' ' ' LEU . 7.9 p -137.25 131.09 44.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.877 0.37 . . . . 0.0 111.116 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 12.7 m80 -59.93 97.81 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.863 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -128.27 156.39 43.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.092 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 19.9 p -93.15 173.5 7.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -60.51 -52.11 66.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.884 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -47.9 -68.9 1.06 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.471 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 98.8 m -44.38 -49.54 9.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.882 0.372 . . . . 0.0 110.876 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 19.8 ttpp -38.97 -66.49 0.28 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -39.73 -53.3 3.05 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.482 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.545 ' CE2' ' HG2' ' A' ' 129' ' ' ARG . 88.6 t80 -51.03 -65.87 0.48 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.841 0.353 . . . . 0.0 110.891 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.471 ' CZ ' ' HB3' ' A' ' 138' ' ' MET . 63.6 t80 -41.73 -69.96 0.12 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.414 ' O ' ' N ' ' A' ' 102' ' ' ILE . 21.8 ttm180 -46.91 -59.91 2.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.405 ' HA ' ' CG ' ' A' ' 103' ' ' ARG . 17.9 ttp180 -42.39 -45.05 4.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 97.5 m -63.0 -33.7 75.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.162 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.414 ' N ' ' O ' ' A' ' 99' ' ' ARG . 35.6 mm -76.88 -56.81 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.165 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.442 ' NH1' ' HB2' ' A' ' 103' ' ' ARG . 3.6 ptm85 -56.37 -29.98 62.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.857 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 21.5 mtp -97.8 -6.59 32.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 54.2 mtpt 46.13 47.66 13.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.92 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 22.4 mt -83.87 129.37 34.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.909 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -114.37 163.4 15.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 33.2 m-85 -148.17 167.98 23.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.93 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -79.04 144.59 34.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.43 ' HA ' ' CE2' ' A' ' 127' ' ' TYR . 32.5 tttp -55.82 110.18 0.69 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 37.3 t -88.98 86.44 6.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.908 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' A' ' 114' ' ' SER . 49.3 mt-10 -49.28 -41.93 39.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 40.3 mtm180 -39.34 -29.34 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.851 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 115' ' ' CYS . 1.8 m 52.24 45.21 28.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.839 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' CYS . . . . . 0.43 ' C ' ' O ' ' A' ' 114' ' ' SER . 8.1 m -35.89 134.69 0.35 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.913 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -84.27 103.98 13.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 23.6 mm -62.67 95.3 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.149 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 44.8 tp60 -103.47 142.14 34.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.943 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 31.1 mtmt -43.65 -49.72 7.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 63.2 tttt -50.81 -48.73 59.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.882 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -130.88 81.89 2.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.89 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 16.6 ptt180 -88.31 -32.2 18.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 32.6 p-10 -88.91 44.31 1.2 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.91 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 23.5 ttmt -90.79 -62.07 1.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 49.8 t -110.76 147.37 34.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 23.7 mp0 -85.93 -64.19 1.19 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' TYR . . . . . 0.569 ' CE2' ' HG3' ' A' ' 131' ' ' GLN . 65.1 t80 -45.54 -68.04 0.23 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 95.8 m -41.68 -50.12 4.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.545 ' HG2' ' CE2' ' A' ' 97' ' ' PHE . 38.1 ttt180 -50.17 -50.53 48.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.463 ' CE2' HD11 ' A' ' 134' ' ' LEU . 31.0 t80 -65.85 -53.23 42.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 131' ' ' GLN . . . . . 0.569 ' HG3' ' CE2' ' A' ' 127' ' ' TYR . 29.6 mm-40 -47.69 -50.61 24.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.05 -53.29 20.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 5.5 m -51.19 -50.93 58.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.463 HD11 ' CE2' ' A' ' 130' ' ' PHE . 74.8 mt -55.78 -48.36 75.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -59.5 -32.94 70.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.112 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.595 ' HB3' HG21 ' A' ' 88' ' ' VAL . 71.5 mt -65.85 -28.57 69.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.969 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 114.56 23.8 4.61 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.482 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 138' ' ' MET . . . . . 0.471 ' HB3' ' CZ ' ' A' ' 98' ' ' PHE . 7.8 mtt -69.24 114.06 7.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.805 0.336 . . . . 0.0 110.844 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 4.1 t -74.91 112.27 10.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 47.8 p-80 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.878 179.989 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.912 0.387 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 42.8 t -44.24 150.63 0.29 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.896 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -101.36 -25.36 13.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 38.6 t -75.63 -58.67 4.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.14 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 15.1 p -99.36 -41.06 7.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 119.99 -39.8 2.37 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.501 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 80' ' ' LYS . 26.9 t70 -42.22 151.83 0.1 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.854 0.359 . . . . 0.0 110.888 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 79' ' ' ASP . 23.6 tttt -35.24 136.95 0.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.935 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -87.78 141.86 28.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.133 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 47.1 t -92.03 -39.57 11.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.838 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -160.44 -158.73 9.42 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.507 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -122.6 89.01 3.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.884 0.373 . . . . 0.0 110.893 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 42.0 m-70 -106.86 140.4 39.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.878 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 64.7 28.25 13.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.938 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 62.86 19.38 60.9 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.464 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.408 HG21 ' HB3' ' A' ' 136' ' ' LEU . 5.5 p -138.55 139.42 41.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.903 0.382 . . . . 0.0 111.113 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 15.8 m80 -67.52 90.83 0.26 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -118.7 157.31 27.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.116 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 20.4 p -95.46 172.93 7.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -56.04 -49.21 74.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.903 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -52.73 -70.67 0.84 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.475 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 64.1 m -52.07 -47.62 65.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.894 0.378 . . . . 0.0 110.871 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 34.3 tttt -42.25 -49.36 5.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -63.51 -60.94 6.75 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.481 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.563 ' CE2' ' HD3' ' A' ' 129' ' ' ARG . 39.3 t80 -38.09 -62.33 0.58 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.894 0.378 . . . . 0.0 110.888 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.547 ' CE2' ' HB3' ' A' ' 138' ' ' MET . 73.7 t80 -46.15 -55.12 7.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.558 ' NE ' HH21 ' A' ' 103' ' ' ARG . 29.4 ttt180 -55.76 -66.06 0.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.45 ' HA ' ' CG ' ' A' ' 103' ' ' ARG . 34.5 ttt180 -39.28 -49.12 1.92 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.858 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 90.9 m -56.81 -37.64 71.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.109 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.447 ' O ' ' N ' ' A' ' 105' ' ' LYS . 43.1 mm -77.55 -65.53 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.15 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.558 HH21 ' NE ' ' A' ' 99' ' ' ARG . 3.6 ptp180 -43.9 -28.93 0.5 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 25.7 mtp -98.91 -21.96 16.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 102' ' ' ILE . 34.6 mmtt 63.36 47.36 3.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 24.7 mt -81.45 146.75 30.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.867 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -116.43 159.82 21.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 49.5 m-85 -140.8 146.78 38.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.944 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.521 ' O ' ' CD2' ' A' ' 127' ' ' TYR . 8.0 pt-20 -55.76 162.07 1.9 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.909 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 45.7 tttt -77.71 116.42 18.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.939 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 16.4 t -105.11 115.12 29.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.85 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -85.44 -29.33 24.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 60.9 mtt180 -51.05 -22.97 2.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 115' ' ' CYS . 27.5 m 51.49 43.41 29.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.757 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' CYS . . . . . 0.426 ' C ' ' O ' ' A' ' 114' ' ' SER . 9.2 m -36.51 137.61 0.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.887 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 23.6 ttmt -89.28 109.72 20.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 28.1 mm -66.0 105.53 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.119 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 62.6 mt-30 -102.71 163.54 12.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.906 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 47.0 pttt -62.94 -43.26 99.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.845 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 48.9 mttm -62.62 -52.34 63.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 39.2 m-20 -105.65 92.36 4.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 82.7 mtm-85 -87.06 -54.81 4.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.897 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -81.53 43.8 0.76 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 12.5 tmtt? -78.52 -63.58 1.37 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 35.8 t -118.42 137.49 53.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' GLN . . . . . 0.453 ' HA ' ' NE2' ' A' ' 126' ' ' GLN . 6.0 mm-40 -78.88 -45.91 19.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.89 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 127' ' ' TYR . . . . . 0.521 ' CD2' ' O ' ' A' ' 109' ' ' GLU . 40.0 t80 -64.34 -71.74 0.17 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 84.4 m -41.26 -55.47 2.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.854 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.563 ' HD3' ' CE2' ' A' ' 97' ' ' PHE . 41.3 ttt85 -44.61 -45.1 9.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -69.33 -60.27 2.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 40.5 mm-40 -41.81 -45.38 3.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.29 -54.66 28.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.909 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 133' ' ' CYS . . . . . 0.468 ' HB3' ' CD1' ' A' ' 98' ' ' PHE . 65.0 m -49.7 -39.21 36.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 93.1 mt -64.63 -48.04 76.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.926 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -57.59 -38.22 74.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.113 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.408 ' HB3' HG21 ' A' ' 88' ' ' VAL . 59.7 mt -60.92 -28.42 68.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 109.71 6.72 28.41 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.473 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 138' ' ' MET . . . . . 0.547 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 7.2 mtt -51.41 116.24 1.97 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.801 0.334 . . . . 0.0 110.897 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 1.6 t -75.89 157.63 33.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.849 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 140' ' ' HIS . . . . . 0.403 ' ND1' HD12 ' A' ' 102' ' ' ILE . 15.9 m170 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.873 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.909 0.385 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 44.8 t -66.23 147.34 53.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.924 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 22.4 mmt180 -90.18 -25.58 20.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 66.1 t -74.52 -70.96 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.104 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.4 ' SG ' ' N ' ' A' ' 78' ' ' GLY . 31.2 p -86.89 -48.22 8.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.4 ' N ' ' SG ' ' A' ' 77' ' ' CYS . . . 127.49 -34.24 3.09 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.514 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.447 ' O ' ' C ' ' A' ' 80' ' ' LYS . 23.8 t70 -48.86 150.72 1.4 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.859 0.361 . . . . 0.0 110.87 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 79' ' ' ASP . 18.2 tttt -34.07 137.61 0.1 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -84.94 145.56 27.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.1 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 25.0 m -93.75 -47.24 6.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -154.42 -175.95 26.18 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.474 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -103.58 89.29 3.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.882 0.373 . . . . 0.0 110.908 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 18.6 m-70 -110.73 147.23 34.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.868 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.439 ' HB2' HG12 ' A' ' 88' ' ' VAL . 4.9 m-85 58.07 30.7 19.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.929 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 60.49 13.29 29.68 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.445 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.439 HG12 ' HB2' ' A' ' 86' ' ' TYR . 7.0 p -134.07 132.3 55.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.88 0.372 . . . . 0.0 111.12 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 25.1 m80 -62.12 91.08 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -116.26 164.38 14.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.119 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 17.8 p -102.83 159.03 15.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.882 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -46.36 -47.98 18.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -50.6 -68.73 1.33 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.492 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 84.9 m -55.24 -48.59 73.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.952 0.406 . . . . 0.0 110.907 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 20.6 tttm -38.2 -65.62 0.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.931 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -48.01 -60.46 5.53 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.46 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.476 ' CE1' ' HG2' ' A' ' 129' ' ' ARG . 11.7 t80 -38.15 -60.54 0.75 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.888 0.375 . . . . 0.0 110.881 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -44.96 -68.16 0.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 19.7 ttm180 -46.42 -58.29 3.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 17.7 ttt180 -41.94 -57.81 2.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 61.9 m -53.18 -30.66 38.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.184 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 48.4 mm -76.57 -64.07 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.163 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 28.2 ptt180 -53.56 -24.88 14.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' MET . . . . . 0.445 ' CB ' ' HG ' ' A' ' 106' ' ' LEU . 11.6 mtp -96.25 -14.13 22.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 24.7 mtpp 51.2 36.67 16.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.938 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.445 ' HG ' ' CB ' ' A' ' 104' ' ' MET . 23.8 mt -74.66 146.85 42.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 12.8 pm0 -114.99 169.51 9.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -148.96 164.97 33.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.942 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -73.47 139.16 45.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.891 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.45 ' HA ' ' CE2' ' A' ' 127' ' ' TYR . 22.1 ttmt -63.75 128.73 37.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 49.9 t -120.05 107.45 13.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.845 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -73.83 -32.81 63.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.863 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 74.1 mtp180 -47.21 -21.84 0.32 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 115' ' ' CYS . 47.0 m 48.65 45.87 21.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' CYS . . . . . 0.454 ' N ' ' SG ' ' A' ' 128' ' ' CYS . 14.0 m -36.46 151.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.88 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 6.5 tmtm? -103.53 109.62 21.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 25.6 mm -62.88 108.05 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.116 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -117.06 141.08 48.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.955 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 28.3 ttpt -47.09 -52.23 15.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.937 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 27.1 mttt -45.43 -55.09 6.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -130.31 80.99 1.98 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 30.5 ptt-85 -84.99 -34.74 22.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.844 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 43.9 t-20 -80.2 59.21 3.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 20.8 ttpt -112.19 -65.51 1.17 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 33.9 t -112.65 137.54 50.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -87.68 -55.19 3.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.941 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' TYR . . . . . 0.49 ' CE1' ' HG3' ' A' ' 131' ' ' GLN . 44.5 t80 -47.29 -56.02 7.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 128' ' ' CYS . . . . . 0.454 ' SG ' ' N ' ' A' ' 115' ' ' CYS . 47.2 m -53.19 -55.8 21.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.905 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.476 ' HG2' ' CE1' ' A' ' 97' ' ' PHE . 13.5 ttm-85 -40.06 -53.17 2.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -62.78 -45.17 93.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' GLN . . . . . 0.49 ' HG3' ' CE1' ' A' ' 127' ' ' TYR . 16.6 mm-40 -51.42 -55.87 16.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 27.1 tttp -42.32 -58.27 2.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 55.3 m -42.2 -46.48 4.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.881 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.488 ' CD2' ' NE2' ' A' ' 140' ' ' HIS . 46.1 mt -63.64 -57.23 10.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -51.35 -34.31 33.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.113 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 65.6 mt -64.34 -26.22 68.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 108.44 14.84 15.07 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.504 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 17.1 mtt -59.18 121.48 11.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.738 0.304 . . . . 0.0 110.878 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 8.2 t -88.24 119.25 28.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.87 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 140' ' ' HIS . . . . . 0.488 ' NE2' ' CD2' ' A' ' 134' ' ' LEU . 12.9 m80 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.851 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.951 0.405 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 42.5 t -67.53 132.33 47.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.847 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.487 ' HB3' ' CZ ' ' A' ' 75' ' ' ARG . 2.6 mmm180 -88.37 25.1 1.73 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.854 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 63.7 t -128.98 -40.0 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.127 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 32.0 p -119.98 -47.02 2.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 132.51 -40.76 1.57 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.523 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 80' ' ' LYS . 21.4 t0 -52.38 155.65 2.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.896 0.379 . . . . 0.0 110.815 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 79' ' ' ASP . 0.1 OUTLIER -36.25 153.84 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -113.22 126.92 55.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.066 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 11.1 t -55.29 -53.61 53.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLY . . . . . 0.44 ' O ' ' CD2' ' A' ' 85' ' ' HIS . . . 172.99 -156.59 25.01 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.474 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.529 ' CZ ' ' HA2' ' A' ' 87' ' ' GLY . 2.9 t80 -68.46 130.02 41.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.902 0.382 . . . . 0.0 110.891 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.44 ' CD2' ' O ' ' A' ' 83' ' ' GLY . 78.4 m-70 -153.46 117.72 4.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.824 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 59.05 27.88 16.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.529 ' HA2' ' CZ ' ' A' ' 84' ' ' PHE . . . 88.58 -27.03 7.42 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.49 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.533 HG21 HD13 ' A' ' 136' ' ' LEU . 8.6 p -108.07 137.95 37.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.887 0.375 . . . . 0.0 111.109 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 64.9 m80 -74.87 97.56 3.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -115.41 171.73 7.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.06 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 14.8 p -101.21 169.37 8.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -51.32 -54.09 29.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -45.86 -71.67 0.48 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.497 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 56.3 m -53.14 -45.32 68.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.892 0.377 . . . . 0.0 110.849 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 27.9 ttmt -41.87 -59.11 1.8 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -57.29 -49.95 68.56 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.482 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.505 ' CE1' ' HD3' ' A' ' 129' ' ' ARG . 69.6 t80 -47.78 -68.58 0.17 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.843 0.354 . . . . 0.0 110.856 -179.818 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.577 ' CZ ' ' HB3' ' A' ' 138' ' ' MET . 87.1 t80 -43.3 -68.69 0.18 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.881 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 102' ' ' ILE . 0.0 OUTLIER -37.61 -63.03 0.48 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.921 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 20.5 ttt-85 -39.38 -46.43 1.63 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 22.3 m -59.92 -39.15 84.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.124 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.435 ' N ' ' O ' ' A' ' 99' ' ' ARG . 33.6 mm -71.98 -64.13 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.13 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 6.8 ptt180 -49.8 -34.17 18.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.886 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 66.7 mtp -91.26 -12.23 35.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.863 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 41.1 mtmt 51.79 46.14 27.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 42.6 mt -80.25 165.28 22.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.946 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -141.46 137.97 32.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.483 ' CE1' ' HB3' ' A' ' 126' ' ' GLN . 31.0 m-85 -113.8 155.65 25.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -72.66 138.5 46.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.89 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 2.5 ttmp? -49.93 117.01 2.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 18.3 t -104.45 93.15 4.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.939 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -61.48 -35.38 77.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.884 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 35.9 mtt180 -46.23 -21.03 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.4 m 46.18 49.89 12.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 13.8 m -42.89 163.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.874 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 4.9 mmmm -112.11 113.03 25.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.892 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 9.5 mm -70.68 103.19 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.129 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -97.81 178.24 5.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.933 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 37.8 pttt -84.33 -17.09 40.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 48.1 tttt -85.17 -43.82 13.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 53.4 m-20 -114.88 55.32 0.76 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.877 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 23.1 mtt85 -51.5 -22.99 3.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 12.4 p-10 -114.26 53.61 0.79 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.844 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -87.34 -59.95 2.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 34.0 t -115.11 143.71 44.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' GLN . . . . . 0.483 ' HB3' ' CE1' ' A' ' 108' ' ' TYR . 19.8 mt-30 -84.63 -40.69 17.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 127' ' ' TYR . . . . . 0.48 ' CE2' ' HG3' ' A' ' 131' ' ' GLN . 61.6 t80 -72.23 -70.81 0.32 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 128' ' ' CYS . . . . . 0.419 ' C ' ' O ' ' A' ' 127' ' ' TYR . 98.1 m -36.6 -53.88 0.88 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.931 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.505 ' HD3' ' CE1' ' A' ' 97' ' ' PHE . 39.6 ttt180 -46.55 -56.47 5.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 27.5 t80 -59.32 -46.2 89.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 131' ' ' GLN . . . . . 0.48 ' HG3' ' CE2' ' A' ' 127' ' ' TYR . 12.5 mm100 -54.07 -58.51 7.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.836 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 42.0 tttt -39.92 -50.51 2.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 33.6 m -53.33 -54.07 41.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.927 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.402 HD12 ' HA ' ' A' ' 131' ' ' GLN . 35.5 mt -50.03 -45.71 52.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.916 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -60.2 -41.24 92.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.109 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.533 HD13 HG21 ' A' ' 88' ' ' VAL . 77.9 mt -59.92 -29.15 68.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 107.73 31.1 3.77 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.48 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 138' ' ' MET . . . . . 0.577 ' HB3' ' CZ ' ' A' ' 98' ' ' PHE . 7.1 mtt -71.27 121.99 19.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.799 0.333 . . . . 0.0 110.888 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 34.5 p -85.02 162.05 19.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 9.8 p80 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.815 -180.0 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.888 0.375 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 45.9 t -43.15 138.38 2.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 23.4 mmt85 -97.86 23.27 8.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.811 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 96.5 t -125.72 -42.06 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.126 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 29.1 p -115.37 -46.57 2.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 130.76 -31.34 3.24 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.476 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 80' ' ' LYS . 17.3 t70 -56.81 150.43 16.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.896 0.379 . . . . 0.0 110.922 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 79' ' ' ASP . 16.9 pttm -37.15 135.4 0.5 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -82.55 130.88 35.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.058 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 5.3 t -70.64 -50.5 36.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.832 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -170.33 -178.89 41.47 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.482 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -85.31 93.6 8.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.91 0.386 . . . . 0.0 110.873 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.524 ' CG ' ' HD3' ' A' ' 95' ' ' LYS . 22.8 m-70 -115.89 138.56 51.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 62.32 25.24 15.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 72.19 11.85 75.58 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.463 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.6 HG21 HD13 ' A' ' 136' ' ' LEU . 11.5 p -137.08 146.2 28.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.899 0.381 . . . . 0.0 111.166 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 50.7 m80 -77.68 92.55 4.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.841 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -117.61 166.05 12.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.135 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 26.4 p -100.08 172.44 7.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -59.98 -21.85 61.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -77.81 -72.92 1.11 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.454 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 62.5 m -48.68 -20.54 0.47 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.901 0.381 . . . . 0.0 110.89 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.524 ' HD3' ' CG ' ' A' ' 85' ' ' HIS . 2.7 mtmp? -70.64 -59.04 3.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -52.05 -37.55 45.74 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.504 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -61.04 -61.9 2.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.934 0.397 . . . . 0.0 110.929 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -48.99 -68.77 0.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.929 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 27.7 ttp180 -39.91 -49.06 2.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 15.5 ttp180 -58.04 -58.06 10.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 49.1 m -50.32 -20.74 1.16 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.146 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 45.8 mm -86.7 -63.26 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.119 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.437 ' HD2' ' CG ' ' A' ' 104' ' ' MET . 0.2 OUTLIER -60.68 -21.09 62.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.834 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 104' ' ' MET . . . . . 0.437 ' CG ' ' HD2' ' A' ' 103' ' ' ARG . 33.2 mtp -96.33 -10.12 28.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.35 42.27 28.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 36.0 mt -79.87 147.36 31.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.439 ' O ' ' CD1' ' A' ' 108' ' ' TYR . 4.7 pt-20 -130.08 163.41 26.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.439 ' CD1' ' O ' ' A' ' 107' ' ' GLU . 40.3 m-85 -149.96 179.1 8.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.929 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -85.98 139.21 31.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.908 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.431 ' HA ' ' CE2' ' A' ' 127' ' ' TYR . 34.8 ttpt -57.36 143.98 37.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.94 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 9.3 t -132.14 107.75 8.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 114' ' ' SER . 5.2 mm-40 -80.02 -36.08 36.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 62.1 mtp180 -39.8 -28.35 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.829 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 115' ' ' CYS . 8.0 t 61.4 44.07 9.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.817 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' CYS . . . . . 0.446 ' C ' ' O ' ' A' ' 114' ' ' SER . 38.8 m -34.48 132.63 0.28 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 10.9 pttm -85.17 88.11 7.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.495 HD12 ' HA ' ' A' ' 129' ' ' ARG . 2.0 mt -66.88 111.02 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -119.09 166.97 12.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.908 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 22.2 pttm -54.14 -39.63 66.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 10.9 mmtp -59.35 -53.37 58.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.882 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -123.46 86.73 2.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 65.4 mtp180 -87.73 -37.35 16.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -87.81 48.47 1.65 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.857 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 6.8 tmtt? -95.21 -61.4 1.48 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.928 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 50.3 t -118.13 144.02 46.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 4.8 mp0 -86.68 -61.53 1.71 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.886 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' TYR . . . . . 0.431 ' CE2' ' HA ' ' A' ' 110' ' ' LYS . 19.0 t80 -48.06 -63.53 1.04 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.931 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 33.8 m -42.75 -47.09 5.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.905 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.495 ' HA ' HD12 ' A' ' 117' ' ' ILE . 28.4 ttt180 -52.07 -64.43 0.82 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.791 ' CE2' HD11 ' A' ' 134' ' ' LEU . 60.1 t80 -54.63 -46.99 73.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 50.1 mm-40 -51.92 -54.13 33.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.912 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 48.6 tttt -44.6 -46.96 10.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 9.2 m -55.46 -56.23 22.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.833 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.791 HD11 ' CE2' ' A' ' 130' ' ' PHE . 13.5 mt -57.53 -44.76 85.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -57.77 -41.13 81.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.101 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.6 HD13 HG21 ' A' ' 88' ' ' VAL . 50.1 mt -62.98 -30.41 71.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 121.06 18.67 3.78 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.504 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 6.2 mtt -61.5 105.83 0.57 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.788 0.328 . . . . 0.0 110.858 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 37.1 t -84.85 124.47 31.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.846 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.843 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.903 0.382 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 42.5 t -61.44 135.85 57.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.699 ' O ' HD11 ' A' ' 136' ' ' LEU . 17.1 mmt180 -93.38 24.89 3.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 69.7 t -129.0 -38.14 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.082 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 32.1 p -121.5 -46.67 2.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 129.37 -37.98 2.09 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.467 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -45.92 171.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.874 0.368 . . . . 0.0 110.855 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 10.2 pttp -57.29 142.57 42.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.869 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -87.65 120.26 28.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.086 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 31.4 t -69.99 -52.81 21.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -148.24 -159.95 8.74 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.499 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -120.91 87.78 2.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.867 0.365 . . . . 0.0 110.919 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 54.4 m-70 -105.08 145.52 30.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 60.9 26.93 16.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 61.74 20.2 59.3 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.439 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.538 HG21 ' HB3' ' A' ' 136' ' ' LEU . 4.2 p -137.43 131.13 44.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.87 0.367 . . . . 0.0 111.138 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 11.9 m80 -58.15 91.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -120.17 161.37 21.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.058 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 14.7 p -100.34 168.3 9.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.932 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -54.09 -51.8 63.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.845 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -47.49 -69.78 0.84 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.481 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' CYS . . . . . 0.43 ' O ' ' C ' ' A' ' 95' ' ' LYS . 64.2 m -55.97 -52.11 65.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.918 0.389 . . . . 0.0 110.895 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 94' ' ' CYS . 47.1 tttt -36.05 -60.3 0.56 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -54.38 -54.87 29.69 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.432 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.4 ' CE1' ' HD3' ' A' ' 129' ' ' ARG . 9.3 t80 -41.24 -51.96 3.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.875 0.369 . . . . 0.0 110.889 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -53.98 -68.75 0.15 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.847 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 8.1 tpt180 -39.24 -50.36 1.95 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 35.4 ttm180 -59.46 -61.37 2.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.873 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 24.6 m -42.36 -25.62 0.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.182 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 26.1 mm -86.25 -65.51 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.14 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.448 ' HG3' ' N ' ' A' ' 104' ' ' MET . 15.2 ptt180 -48.82 -44.13 39.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.867 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' MET . . . . . 0.448 ' N ' ' HG3' ' A' ' 103' ' ' ARG . 41.6 mtp -84.57 -6.64 59.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 56.6 mttt 45.97 41.07 7.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 13.6 mt -70.93 125.69 27.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 24.1 pm0 -105.44 164.22 12.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -139.35 176.0 9.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.958 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -86.86 136.77 32.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.411 ' HA ' ' CZ ' ' A' ' 127' ' ' TYR . 13.2 tppt? -45.3 150.35 0.44 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 17.0 t -143.44 118.53 10.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.849 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 113' ' ' ARG . 41.6 mt-10 -92.39 -40.87 10.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.84 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 112' ' ' GLU . 26.5 mmm-85 -37.01 -36.32 0.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.854 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 115' ' ' CYS . 1.1 t 71.57 37.54 1.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.753 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' CYS . . . . . 0.446 ' N ' ' SG ' ' A' ' 128' ' ' CYS . 7.0 m -34.7 148.11 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 48.5 mttt -104.86 120.63 41.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 18.0 mm -72.8 101.64 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.079 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.407 ' O ' ' N ' ' A' ' 122' ' ' ARG . 25.9 tp60 -96.66 142.98 28.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.935 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.404 ' O ' ' NH1' ' A' ' 122' ' ' ARG . 9.8 ptpp? -55.68 -45.1 77.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.27 -50.6 73.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 48.9 m-20 -127.39 66.12 1.31 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.893 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' ARG . . . . . 0.407 ' N ' ' O ' ' A' ' 118' ' ' GLN . 9.7 ptt-85 -74.61 -26.19 59.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.908 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -83.49 65.65 8.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.849 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 30.3 mttt -118.68 -64.14 1.32 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 19.2 t -114.63 139.34 49.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -87.79 -41.47 13.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.953 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' TYR . . . . . 0.411 ' CZ ' ' HA ' ' A' ' 110' ' ' LYS . 17.9 t80 -58.18 -68.37 0.26 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.96 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 128' ' ' CYS . . . . . 0.446 ' SG ' ' N ' ' A' ' 115' ' ' CYS . 89.0 m -47.54 -33.85 6.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.951 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.4 ' HD3' ' CE1' ' A' ' 97' ' ' PHE . 42.7 ttt85 -61.66 -53.18 59.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.923 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -67.65 -45.05 76.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 26.3 mm100 -53.35 -47.09 69.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 34.8 tttt -54.79 -45.67 74.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 133' ' ' CYS . . . . . 0.401 ' HA ' HD12 ' A' ' 136' ' ' LEU . 47.3 m -55.59 -38.85 69.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.894 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 20.8 mt -69.14 -46.14 68.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.959 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -58.07 -26.19 62.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.069 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.699 HD11 ' O ' ' A' ' 75' ' ' ARG . 80.3 mt -73.13 -15.94 61.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 97.15 2.08 59.32 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.506 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 17.4 mtt -41.38 115.46 0.62 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.796 0.332 . . . . 0.0 110.842 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 40.0 p -81.33 74.81 8.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.815 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 33.2 p-80 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.866 179.917 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.674 ' C ' ' HB2' ' A' ' 81' ' ' ALA . 3.2 mt-10 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.922 0.391 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 48.8 t -79.17 153.81 29.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.845 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 24.6 mmm180 -92.99 -31.99 14.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 70.2 t -70.99 -71.45 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.112 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.422 ' SG ' ' N ' ' A' ' 78' ' ' GLY . 23.7 p -85.73 -47.84 9.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.422 ' N ' ' SG ' ' A' ' 77' ' ' CYS . . . 126.73 -37.31 2.44 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.484 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.46 ' O ' ' C ' ' A' ' 80' ' ' LYS . 19.4 t70 -45.15 153.67 0.19 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.836 0.351 . . . . 0.0 110.873 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 79' ' ' ASP . 18.7 ttpt -33.34 134.61 0.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.923 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.674 ' HB2' ' C ' ' A' ' 73' ' ' GLU . . . -87.83 140.2 29.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.132 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 25.9 t -83.67 -48.22 10.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.841 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -158.96 -152.03 6.31 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.451 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.427 ' CZ ' ' O ' ' A' ' 87' ' ' GLY . 3.9 t80 -121.21 90.35 3.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.888 0.375 . . . . 0.0 110.849 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.424 ' O ' HG12 ' A' ' 88' ' ' VAL . 69.2 m-70 -105.79 141.4 37.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.88 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 60.94 33.61 19.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.427 ' O ' ' CZ ' ' A' ' 84' ' ' PHE . . . 60.85 19.31 55.64 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.506 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.424 HG12 ' O ' ' A' ' 85' ' ' HIS . 10.6 p -137.86 142.93 34.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.898 0.38 . . . . 0.0 111.134 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 41.5 m80 -73.87 93.59 2.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.849 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -123.69 165.84 16.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.171 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 19.0 p -101.83 164.74 11.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.871 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -53.94 -55.59 25.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -42.77 -62.52 2.23 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.504 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' CYS . . . . . 0.411 ' O ' ' C ' ' A' ' 95' ' ' LYS . 75.6 m -53.9 -53.19 56.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.919 0.39 . . . . 0.0 110.885 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 94' ' ' CYS . 5.6 ttpm? -37.52 -62.15 0.55 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.938 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -46.53 -44.7 16.72 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.478 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -60.04 -60.46 3.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.836 0.35 . . . . 0.0 110.831 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -50.72 -66.0 0.46 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 37.2 ttp85 -47.27 -46.62 24.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.84 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 23.7 ttp180 -56.17 -48.56 76.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 61.9 m -61.0 -24.45 66.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.142 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 20.7 mm -86.65 -65.51 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.097 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -50.72 -27.88 7.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 41.9 mtp -97.22 -16.67 20.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.873 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 18.7 mtmt 55.38 47.68 20.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 39.0 mt -84.17 143.8 29.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -105.72 160.39 15.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.894 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 57.5 m-85 -136.32 146.54 46.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -58.48 138.83 56.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.842 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 9.3 tppt? -63.16 119.76 10.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.908 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 42.6 t -115.26 108.68 16.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -74.81 -34.56 62.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 26.2 mtp180 -47.7 -21.69 0.41 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 115' ' ' CYS . 3.8 m 48.13 47.76 18.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 -179.775 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' CYS . . . . . 0.424 ' C ' ' O ' ' A' ' 114' ' ' SER . 9.3 m -36.23 144.92 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.896 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -93.87 113.49 25.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 7.9 mm -74.2 95.87 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.126 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -108.68 147.49 31.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 3.9 pttm -47.17 -51.34 18.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -42.98 -55.01 3.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.864 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -133.62 88.51 2.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -89.28 -34.63 16.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 55.4 t30 -82.41 65.53 7.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 19.5 mttm -116.96 -63.83 1.39 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 15.0 t -114.51 138.05 51.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.882 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -81.82 -53.89 5.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' TYR . . . . . 0.478 ' CE1' ' HG3' ' A' ' 131' ' ' GLN . 43.1 t80 -51.62 -65.73 0.51 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.923 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 82.7 m -47.19 -44.31 22.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.901 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -54.23 -48.66 70.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.832 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.499 ' CE2' HD11 ' A' ' 134' ' ' LEU . 51.8 t80 -66.04 -49.04 69.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 131' ' ' GLN . . . . . 0.478 ' HG3' ' CE1' ' A' ' 127' ' ' TYR . 78.2 mm-40 -49.49 -47.19 48.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 27.5 tttp -49.56 -48.52 48.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 87.5 m -53.57 -49.02 68.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.499 HD11 ' CE2' ' A' ' 130' ' ' PHE . 69.1 mt -62.29 -39.01 91.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.879 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -65.4 -40.35 93.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.072 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 70.7 mt -60.0 -25.43 65.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 104.21 22.81 8.45 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.47 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 8.5 mtt -66.67 107.33 2.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.794 0.331 . . . . 0.0 110.868 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 2.9 t -60.49 119.12 7.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.833 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 37.7 p-80 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.877 179.939 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.857 0.361 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 39.7 t -66.98 138.21 57.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.668 ' O ' HD11 ' A' ' 136' ' ' LEU . 1.5 mmp_? -90.62 29.64 1.28 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.502 HG22 ' CD1' ' A' ' 136' ' ' LEU . 87.0 t -134.85 -39.89 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.136 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 31.3 p -125.66 -46.92 1.71 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.885 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 135.84 -35.0 2.2 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.509 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -50.65 151.5 2.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.9 0.381 . . . . 0.0 110.871 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 10.3 ttmm -39.26 137.5 0.74 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.948 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 82' ' ' SER . . . -74.48 83.65 1.99 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.075 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 81' ' ' ALA . 29.4 t -34.96 -52.08 0.54 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.85 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -156.06 -166.26 15.73 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.483 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.462 ' CE2' ' HA2' ' A' ' 87' ' ' GLY . 26.3 t80 -114.74 88.55 2.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.924 0.392 . . . . 0.0 110.905 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 26.4 m80 -104.73 155.83 18.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.826 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 52.96 26.41 4.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.462 ' HA2' ' CE2' ' A' ' 84' ' ' PHE . . . 63.61 18.08 60.96 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.445 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.545 HG21 ' HB3' ' A' ' 136' ' ' LEU . 7.7 p -135.89 131.05 49.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.857 0.361 . . . . 0.0 111.088 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 11.4 m80 -57.17 99.4 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -133.53 167.4 20.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.049 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 16.7 p -100.01 171.91 7.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.841 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 93' ' ' GLY . 11.1 pt-20 -62.77 -51.13 68.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.413 ' N ' ' HG3' ' A' ' 92' ' ' GLU . . . -45.54 -70.46 0.63 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.445 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' CYS . . . . . 0.466 ' O ' ' N ' ' A' ' 97' ' ' PHE . 95.4 m -43.54 -56.53 3.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.915 0.388 . . . . 0.0 110.893 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 94' ' ' CYS . 18.2 ttmt -35.23 -55.74 0.62 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -53.72 -39.41 61.27 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.487 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.466 ' N ' ' O ' ' A' ' 94' ' ' CYS . 8.2 t80 -67.07 -50.61 61.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.918 0.39 . . . . 0.0 110.883 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -57.92 -58.77 6.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.82 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 26.2 ttp180 -55.94 -52.95 62.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 18.0 ttt180 -46.52 -51.7 14.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 99.6 m -57.71 -31.6 66.57 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.134 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 30.6 mm -79.73 -65.63 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -49.53 -34.96 18.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 76.5 mtp -89.03 -19.0 26.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 17.4 mmtp 58.72 37.59 25.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 39.9 mt -72.11 139.03 48.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.938 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -102.35 162.97 12.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -137.62 175.26 9.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.935 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -101.66 135.24 43.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.93 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 35.3 ttmt -50.05 115.5 1.44 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 50.0 t -105.23 94.44 5.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 113' ' ' ARG . 36.3 mt-10 -62.44 -44.72 95.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 112' ' ' GLU . 0.1 OUTLIER -35.79 -45.31 0.38 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 -179.937 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.7 t 73.0 46.56 0.23 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' CYS . . . . . 0.451 ' N ' ' SG ' ' A' ' 128' ' ' CYS . 8.2 m -39.56 142.61 0.28 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.845 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 15.1 ttmt -91.15 110.27 21.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.872 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 14.0 mm -67.4 121.61 16.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -121.97 168.16 12.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 3.9 pttp -74.5 -23.13 58.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.939 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -78.19 -49.93 12.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -124.21 74.5 1.31 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 30.3 ptt180 -80.96 -35.92 31.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 5.7 p-10 -85.08 44.95 1.12 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 16.5 tptp -95.15 -59.73 1.83 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.901 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 17.3 t -117.34 129.11 55.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.937 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 19.8 mp0 -75.93 -44.42 40.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -59.56 -66.91 0.44 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' CYS . . . . . 0.451 ' SG ' ' N ' ' A' ' 115' ' ' CYS . 67.7 m -44.59 -58.15 3.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.873 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.421 ' HG2' ' CE1' ' A' ' 97' ' ' PHE . 3.0 tpp85 -41.03 -57.28 2.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.906 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -55.94 -54.01 49.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.871 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 131' ' ' GLN . . . . . 0.441 ' OE1' HD12 ' A' ' 134' ' ' LEU . 10.2 mm100 -42.13 -49.19 4.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 44.6 tttt -48.11 -48.1 34.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 133' ' ' CYS . . . . . 0.428 ' O ' ' N ' ' A' ' 136' ' ' LEU . 81.3 m -54.57 -60.37 3.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.837 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.441 HD12 ' OE1' ' A' ' 131' ' ' GLN . 98.7 mt -42.23 -36.74 1.29 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -74.88 -36.43 62.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.073 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.668 HD11 ' O ' ' A' ' 75' ' ' ARG . 37.9 mt -61.19 -24.24 66.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 92.98 27.59 13.55 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.475 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 28.3 mtt -63.1 172.19 1.93 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.781 0.324 . . . . 0.0 110.898 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 4.1 m -125.86 102.08 7.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 2.4 p-80 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.846 -179.998 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.946 0.403 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 44.6 t -54.28 128.87 33.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.918 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.62 ' O ' HD11 ' A' ' 136' ' ' LEU . 24.2 mmt180 -86.9 24.08 1.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.832 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 96.8 t -125.17 -47.11 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.138 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 26.8 p -110.56 -48.12 3.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.895 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 132.35 -34.69 2.47 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.503 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -48.92 176.6 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.835 0.35 . . . . 0.0 110.898 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 14.8 tptm -73.25 119.25 17.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -55.76 164.25 1.17 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.077 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 31.0 t -120.0 -46.72 2.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.805 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -150.54 148.82 20.42 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.549 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -76.65 87.99 3.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.878 0.37 . . . . 0.0 110.869 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 69.3 m-70 -107.08 153.61 22.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.846 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.486 ' HB2' HG12 ' A' ' 88' ' ' VAL . 22.4 m-85 51.73 32.15 9.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.878 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 57.92 20.93 43.08 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.486 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.755 HG11 ' HG2' ' A' ' 138' ' ' MET . 6.2 p -138.0 135.68 45.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.84 0.353 . . . . 0.0 111.12 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 21.7 m80 -65.63 92.37 0.14 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -119.02 167.72 11.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.045 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 20.2 p -101.67 179.21 4.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -64.16 -49.9 70.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -53.5 -72.72 0.49 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.519 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 90.3 m -40.53 -53.63 2.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.902 0.382 . . . . 0.0 110.9 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 57.5 tttp -38.44 -59.28 0.92 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -52.25 -43.91 57.41 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.457 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.555 ' CZ ' ' HD3' ' A' ' 129' ' ' ARG . 83.4 t80 -56.1 -63.21 1.26 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.831 0.348 . . . . 0.0 110.86 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -45.99 -65.8 0.49 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.413 ' O ' ' N ' ' A' ' 102' ' ' ILE . 35.1 ttt-85 -47.37 -60.35 2.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.822 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 39.4 ttm180 -39.32 -54.39 1.86 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.514 HG23 ' HB2' ' A' ' 106' ' ' LEU . 42.9 m -55.28 -36.95 66.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.135 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.413 ' N ' ' O ' ' A' ' 99' ' ' ARG . 44.9 mm -70.61 -63.69 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.092 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -54.94 -31.12 60.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 58.8 mtp -93.69 -18.6 21.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' A' ' 101' ' ' THR . 20.5 mmmt 56.97 47.26 17.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.514 ' HB2' HG23 ' A' ' 101' ' ' THR . 28.5 mt -73.44 136.22 44.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.933 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -100.36 153.93 18.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.404 ' CE1' ' HB3' ' A' ' 126' ' ' GLN . 22.2 m-85 -135.58 178.28 7.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -111.3 139.58 46.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.921 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 1.3 ttmp? -54.89 105.08 0.14 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 12.3 t -92.43 97.16 10.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 114' ' ' SER . 20.6 mm-40 -63.84 -41.99 97.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 52.2 mtt180 -39.37 -27.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.848 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 112' ' ' GLU . 4.0 m 54.75 45.99 25.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 -179.814 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 5.6 m -42.16 147.16 0.25 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.861 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -91.76 111.72 23.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 50.0 mm -67.16 87.67 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.148 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -84.81 152.7 23.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.944 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.462 ' HG3' ' N ' ' A' ' 120' ' ' LYS . 12.0 pttm -63.29 -40.11 96.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.462 ' N ' ' HG3' ' A' ' 119' ' ' LYS . 5.4 mtpm? -55.37 -53.01 61.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -119.6 88.28 2.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.87 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 92.8 mtm-85 -79.38 -40.64 29.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.842 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 74.2 m-80 -81.97 44.31 0.83 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 26.8 tptt -90.24 -57.73 2.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 11.9 t -118.39 142.9 47.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.878 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' GLN . . . . . 0.404 ' HB3' ' CE1' ' A' ' 108' ' ' TYR . 46.9 mt-30 -86.71 -47.06 9.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 127' ' ' TYR . . . . . 0.467 ' CE2' ' HG3' ' A' ' 131' ' ' GLN . 55.6 t80 -66.78 -67.9 0.42 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.953 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 95.8 m -42.01 -42.74 2.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.883 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.555 ' HD3' ' CZ ' ' A' ' 97' ' ' PHE . 58.2 ttt180 -57.02 -63.29 1.26 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.457 ' HE2' HD11 ' A' ' 134' ' ' LEU . 63.0 t80 -55.5 -45.17 77.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 131' ' ' GLN . . . . . 0.467 ' HG3' ' CE2' ' A' ' 127' ' ' TYR . 17.4 mm-40 -48.3 -54.8 12.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 28.2 tttp -46.57 -48.52 19.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.932 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 69.7 m -52.5 -57.73 8.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.457 HD11 ' HE2' ' A' ' 130' ' ' PHE . 83.7 mt -47.46 -45.07 25.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.92 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -55.88 -44.62 78.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.106 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.62 HD11 ' O ' ' A' ' 75' ' ' ARG . 24.0 mt -60.99 -29.87 69.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 99.49 35.07 4.8 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.492 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 138' ' ' MET . . . . . 0.755 ' HG2' HG11 ' A' ' 88' ' ' VAL . 23.4 mtp -66.6 99.09 0.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.772 0.32 . . . . 0.0 110.919 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 19.2 m -44.75 107.18 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.835 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 26.8 p-80 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.846 179.988 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.871 0.367 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 74' ' ' CYS . . . . . 0.528 ' O ' ' N ' ' A' ' 78' ' ' GLY . 22.3 t -72.7 110.07 6.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 35.4 mtt-85 -49.32 -35.15 17.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.423 ' HB ' ' SG ' ' A' ' 74' ' ' CYS . 5.2 t -61.84 -71.67 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.15 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.832 ' HA ' HG22 ' A' ' 117' ' ' ILE . 28.7 p -98.7 -45.28 6.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.836 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.528 ' N ' ' O ' ' A' ' 74' ' ' CYS . . . 125.43 -32.37 3.93 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.5 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -44.32 159.61 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.898 0.38 . . . . 0.0 110.861 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -42.45 127.66 3.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -75.01 152.52 38.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.112 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 19.2 m -104.39 -43.89 5.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -165.45 170.22 40.25 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.446 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.448 ' CE2' ' HA2' ' A' ' 87' ' ' GLY . 6.5 t80 -87.71 89.18 7.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.905 0.383 . . . . 0.0 110.884 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 65.8 m-70 -110.45 132.78 53.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 69.16 29.64 4.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.95 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.448 ' HA2' ' CE2' ' A' ' 84' ' ' PHE . . . 64.05 12.66 50.22 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.525 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 7.2 p -134.32 140.21 46.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.866 0.365 . . . . 0.0 111.119 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 9.1 m80 -71.61 100.21 2.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -120.38 161.03 21.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.107 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 16.4 p -101.2 155.81 17.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -47.46 -46.13 26.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.912 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -53.5 -42.48 65.91 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.458 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 60.9 m -79.1 -57.29 3.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.879 0.371 . . . . 0.0 110.849 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -40.19 -53.67 2.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -57.0 -37.91 82.11 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.494 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.475 ' CD2' ' HG2' ' A' ' 129' ' ' ARG . 4.1 t80 -65.01 -63.25 1.15 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.915 0.388 . . . . 0.0 110.931 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.45 ' N ' ' CD2' ' A' ' 97' ' ' PHE . 42.8 t80 -49.06 -56.93 7.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.889 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 27.5 ttm180 -53.37 -53.48 50.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 30.0 ttp180 -50.96 -46.14 61.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.825 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 24.4 m -61.93 -29.13 70.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.14 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 30.8 mm -79.54 -62.9 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.121 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 1.6 ptp180 -54.0 -25.12 19.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 36.6 mtp -102.29 -9.13 20.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 56.8 mttp 47.49 45.04 17.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 37.1 mt -79.96 176.78 9.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.937 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -146.29 155.18 42.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.942 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.417 ' CE2' ' HB3' ' A' ' 126' ' ' GLN . 46.4 m-85 -132.52 134.76 45.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -47.52 131.92 13.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 22.9 ttpt -51.86 115.59 1.74 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 42.8 t -94.78 96.8 9.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -62.43 -31.91 72.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 6.2 mpt_? -52.84 -21.37 4.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.8 m 46.3 47.69 13.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.839 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' CYS . . . . . 0.433 ' N ' ' SG ' ' A' ' 128' ' ' CYS . 17.7 m -42.45 157.2 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 17.0 mtpp -103.78 113.12 26.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.935 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.832 HG22 ' HA ' ' A' ' 77' ' ' CYS . 23.6 mm -63.26 93.6 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.107 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -101.81 144.81 30.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 26.0 ttpt -54.59 -43.13 71.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.476 ' O ' ' CG ' ' A' ' 121' ' ' ASN . 0.0 OUTLIER -58.38 -37.96 76.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 179.901 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 121' ' ' ASN . . . . . 0.476 ' CG ' ' O ' ' A' ' 120' ' ' LYS . 13.6 m120 -170.82 121.39 0.57 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 6.3 mpt_? -72.14 1.6 7.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' ASN . . . . . 0.424 ' O ' ' C ' ' A' ' 124' ' ' LYS . 7.8 t-20 75.08 36.09 0.56 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 124' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 123' ' ' ASN . 7.5 mtmp? 35.35 37.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 2.7 t -109.57 126.58 53.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' GLN . . . . . 0.417 ' HB3' ' CE2' ' A' ' 108' ' ' TYR . 2.9 mp0 -85.92 -43.98 12.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 127' ' ' TYR . . . . . 0.463 ' CE2' ' HG3' ' A' ' 131' ' ' GLN . 64.6 t80 -58.57 -66.82 0.43 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 128' ' ' CYS . . . . . 0.433 ' SG ' ' N ' ' A' ' 115' ' ' CYS . 61.6 m -43.59 -32.74 1.0 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.475 ' HG2' ' CD2' ' A' ' 97' ' ' PHE . 7.7 tpp85 -66.49 -44.34 82.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.851 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -68.91 -44.08 73.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 131' ' ' GLN . . . . . 0.463 ' HG3' ' CE2' ' A' ' 127' ' ' TYR . 53.8 mm-40 -50.8 -55.46 16.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 45.7 tttt -52.46 -56.94 11.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.917 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 51.7 m -42.8 -42.63 3.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 98.4 mt -67.48 -42.58 82.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.949 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -65.12 -35.95 82.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.088 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 72.4 mt -60.6 -27.25 67.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 109.3 6.69 29.23 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.442 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 9.3 mtt -53.14 115.32 1.82 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.823 0.344 . . . . 0.0 110.894 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 44.0 p -76.73 121.7 23.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.87 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 51.2 p-80 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 179.969 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.559 ' C ' ' HB2' ' A' ' 81' ' ' ALA . 13.2 pt-20 . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.88 0.371 . . . . 0.0 110.931 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 42.2 t -58.98 150.89 23.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.927 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.483 ' HB3' HD22 ' A' ' 136' ' ' LEU . 24.3 mmm180 -100.43 -29.41 12.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 36.2 t -71.38 -62.71 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.12 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 14.8 p -97.97 -40.87 8.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.903 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 79' ' ' ASP . . . 122.24 -42.18 1.69 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.441 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.441 ' O ' ' C ' ' A' ' 80' ' ' LYS . 9.5 t70 -36.8 152.04 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.856 0.36 . . . . 0.0 110.843 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 79' ' ' ASP . 13.2 ptmt -33.99 141.87 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.559 ' HB2' ' C ' ' A' ' 73' ' ' GLU . . . -91.94 122.14 34.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.132 179.82 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.0 t -73.66 -43.73 58.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 -179.763 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -158.67 -165.55 16.06 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.51 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -117.24 90.46 3.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.839 0.352 . . . . 0.0 110.896 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 56.3 m-70 -107.65 144.42 34.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 61.2 29.74 18.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.954 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 59.76 19.77 50.44 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.483 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.555 HG21 ' HB3' ' A' ' 136' ' ' LEU . 7.7 p -139.8 129.75 29.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.893 0.378 . . . . 0.0 111.113 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 17.7 m80 -58.24 102.43 0.11 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -131.41 153.09 50.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.128 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 17.6 p -92.29 172.98 8.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.845 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -61.21 -52.48 64.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -46.23 -69.58 0.81 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.445 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' CYS . . . . . 0.417 ' O ' ' C ' ' A' ' 95' ' ' LYS . 93.6 m -47.41 -55.5 8.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.895 0.378 . . . . 0.0 110.886 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 94' ' ' CYS . 6.0 ttpm? -36.92 -59.53 0.69 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -44.02 -44.98 7.59 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.471 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.498 ' CE2' ' HG2' ' A' ' 129' ' ' ARG . 62.3 t80 -61.3 -66.41 0.54 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.932 0.396 . . . . 0.0 110.927 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -48.26 -61.47 1.97 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.936 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 28.0 ttp180 -43.26 -58.94 2.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.853 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 18.9 ttm180 -46.69 -41.75 15.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.472 ' HA ' HD12 ' A' ' 106' ' ' LEU . 26.6 m -67.35 -25.62 66.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.152 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 21.6 mm -83.14 -60.83 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.119 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.402 ' NH1' ' HG3' ' A' ' 104' ' ' MET . 7.3 ptm180 -49.77 -42.82 47.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' MET . . . . . 0.459 ' O ' ' C ' ' A' ' 105' ' ' LYS . 25.5 mmm -99.78 11.41 39.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.459 ' C ' ' O ' ' A' ' 104' ' ' MET . 44.7 mmtt 33.79 45.28 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.472 HD12 ' HA ' ' A' ' 101' ' ' THR . 13.1 mt -64.33 126.03 26.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -100.04 158.1 16.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -141.18 175.23 9.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.937 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -96.81 130.99 43.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.517 ' HA ' ' CZ ' ' A' ' 127' ' ' TYR . 63.8 tttt -46.42 133.0 10.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 48.0 t -112.25 102.92 11.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 113' ' ' ARG . 37.2 mt-10 -63.67 -43.95 95.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.917 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.435 ' C ' ' O ' ' A' ' 112' ' ' GLU . 48.7 mtp180 -35.24 -35.57 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.861 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.416 ' N ' ' O ' ' A' ' 112' ' ' GLU . 9.4 t 62.84 45.9 5.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.815 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 4.6 m -47.18 159.28 0.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.839 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 11.9 ptpt -113.21 116.68 30.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.866 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 8.7 mm -74.4 117.5 18.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.195 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 37.3 mm-40 -123.48 159.1 29.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.873 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.449 ' HG3' ' N ' ' A' ' 120' ' ' LYS . 10.6 ptpp? -56.45 -50.38 71.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.449 ' N ' ' HG3' ' A' ' 119' ' ' LYS . 34.0 mmtp -47.81 -54.98 10.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.855 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -124.3 90.38 3.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.842 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 54.7 mtm180 -80.92 -44.63 17.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -80.14 52.34 1.53 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 5.0 mmmm -89.57 -60.12 2.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.934 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 40.2 t -116.97 149.2 40.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -88.28 -40.76 13.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.917 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' TYR . . . . . 0.517 ' CZ ' ' HA ' ' A' ' 110' ' ' LYS . 33.1 t80 -77.36 -69.94 0.5 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.947 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 128' ' ' CYS . . . . . 0.409 ' C ' ' O ' ' A' ' 127' ' ' TYR . 90.0 m -36.56 -44.76 0.47 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.886 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.498 ' HG2' ' CE2' ' A' ' 97' ' ' PHE . 40.5 ttt85 -52.29 -57.88 8.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.852 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -57.91 -47.13 83.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 25.0 mm-40 -49.57 -55.61 12.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.942 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 20.0 tttp -41.6 -54.34 3.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.948 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 36.1 m -46.84 -58.65 3.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 66.0 mt -49.95 -44.9 50.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -67.99 -32.22 72.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.089 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.555 ' HB3' HG21 ' A' ' 88' ' ' VAL . 25.8 mt -65.94 -27.81 68.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.947 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 116.63 22.97 4.19 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.451 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 15.7 mtt -75.36 177.02 6.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.807 0.337 . . . . 0.0 110.828 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 3.1 m -156.56 171.56 20.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 21.1 p80 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 179.962 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.401 ' C ' ' HB2' ' A' ' 81' ' ' ALA . 21.0 mt-10 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.858 0.361 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 47.2 t -79.68 130.04 35.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.888 ' O ' HD11 ' A' ' 136' ' ' LEU . 32.0 mmt180 -84.72 27.13 0.76 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.834 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.516 HG22 ' CD1' ' A' ' 136' ' ' LEU . 59.2 t -131.35 -44.23 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.144 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 29.0 p -117.29 -47.56 2.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 131.21 -37.07 2.14 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.501 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -47.71 154.26 0.5 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.826 0.346 . . . . 0.0 110.916 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -44.97 127.85 6.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.401 ' HB2' ' C ' ' A' ' 73' ' ' GLU . . . -68.89 126.58 30.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 179.803 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.9 m -75.2 -49.58 18.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -151.42 -154.6 6.62 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.455 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -127.01 92.82 3.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.889 0.376 . . . . 0.0 110.89 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 60.3 m-70 -111.17 156.47 21.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.864 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.418 ' CE2' ' CD2' ' A' ' 98' ' ' PHE . 10.8 m-85 50.58 27.41 2.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.85 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 59.99 26.53 63.36 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.482 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.795 HG21 ' HB3' ' A' ' 136' ' ' LEU . 9.9 p -142.41 123.98 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.848 0.356 . . . . 0.0 111.154 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 12.8 m80 -52.76 90.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.837 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.412 ' N ' ' O ' ' A' ' 88' ' ' VAL . . . -120.6 169.03 10.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.095 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 15.4 p -105.23 172.15 6.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.854 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -59.45 -53.81 53.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.89 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -43.78 -63.55 2.19 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.513 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' CYS . . . . . 0.433 ' O ' ' C ' ' A' ' 95' ' ' LYS . 73.3 m -57.95 -53.83 53.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.953 0.406 . . . . 0.0 110.917 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 94' ' ' CYS . 0.6 OUTLIER -35.58 -58.24 0.6 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.874 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -57.12 -42.24 93.07 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.488 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.585 ' CZ ' ' HD3' ' A' ' 129' ' ' ARG . 47.1 t80 -56.15 -57.13 13.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.913 0.387 . . . . 0.0 110.895 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.418 ' CD2' ' CE2' ' A' ' 86' ' ' TYR . 74.5 t80 -49.74 -61.44 2.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.895 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 20.7 ttp180 -53.06 -50.91 63.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.843 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 22.5 ttp180 -50.61 -42.56 56.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.602 HG21 ' CD1' ' A' ' 130' ' ' PHE . 72.8 m -64.82 -34.83 79.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.14 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.541 HG21 ' ND1' ' A' ' 140' ' ' HIS . 28.3 mm -74.78 -66.01 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.094 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.442 ' HG3' ' N ' ' A' ' 104' ' ' MET . 0.4 OUTLIER -40.54 -38.2 0.82 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.876 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 104' ' ' MET . . . . . 0.677 ' HE2' HD11 ' A' ' 106' ' ' LEU . 5.8 mtm -91.77 -21.1 20.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 102' ' ' ILE . 7.4 mmmm 62.05 48.17 5.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.677 HD11 ' HE2' ' A' ' 104' ' ' MET . 14.4 mt -75.48 146.54 40.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -120.47 149.85 41.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.89 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -137.41 157.92 45.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.945 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -69.87 167.65 16.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.846 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 11.4 tppt? -82.77 111.64 18.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.899 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 23.0 t -97.5 92.92 6.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -61.86 -38.15 87.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 34.5 mtt85 -38.68 -34.53 0.15 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.892 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 33.9 m 61.61 45.71 7.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.755 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 7.6 m -39.69 146.77 0.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 60.8 tttt -95.86 100.81 12.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.894 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 32.9 mm -63.31 97.74 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.178 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 16.9 mm-40 -100.0 -179.34 4.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 43.3 tttm -76.56 -41.94 44.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 74.8 mttt -62.34 -53.04 60.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.961 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -105.61 57.93 0.67 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 17.3 mtm180 -55.24 -53.94 49.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 10.1 p30 -86.9 52.68 2.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 50.3 tttt -84.01 -62.76 1.49 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 48.8 t -116.38 152.36 34.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -87.39 -63.34 1.32 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' TYR . . . . . 0.403 ' O ' ' N ' ' A' ' 130' ' ' PHE . 53.9 t80 -54.37 -67.15 0.29 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.961 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 20.7 m -38.14 -43.62 0.77 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.851 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.585 ' HD3' ' CZ ' ' A' ' 97' ' ' PHE . 22.8 ttt180 -61.74 -46.11 91.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.776 ' CE2' HD11 ' A' ' 134' ' ' LEU . 81.7 t80 -67.24 -43.2 82.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.947 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -55.62 -50.0 71.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.9 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 61.9 tttt -47.52 -46.06 27.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 9.9 m -57.4 -48.05 80.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.776 HD11 ' CE2' ' A' ' 130' ' ' PHE . 19.7 mt -61.76 -48.73 79.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.92 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -57.89 -41.09 81.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.089 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.888 HD11 ' O ' ' A' ' 75' ' ' ARG . 59.2 mt -57.67 -30.1 65.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 111.45 31.38 2.81 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.484 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 9.1 mtt -74.49 123.8 25.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.747 0.308 . . . . 0.0 110.91 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 27.3 m -87.8 129.8 35.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 140' ' ' HIS . . . . . 0.541 ' ND1' HG21 ' A' ' 102' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.909 0.385 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 33.7 t -42.86 136.25 2.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 21.5 mmt180 -92.05 7.61 41.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.1 t -108.65 -60.72 2.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.104 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 28.6 p -95.34 -42.13 8.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 125.53 -39.25 2.09 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.476 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -46.96 158.01 0.14 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.834 0.35 . . . . 0.0 110.902 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 18.1 ttpt -40.78 138.31 1.03 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -81.64 107.38 14.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.116 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 13.3 t -52.75 -57.91 8.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -149.31 -153.72 6.13 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.527 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.557 ' CE2' ' HA2' ' A' ' 87' ' ' GLY . 25.7 t80 -123.0 88.3 2.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.824 0.345 . . . . 0.0 110.86 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.589 ' CD2' ' HE3' ' A' ' 95' ' ' LYS . 66.1 m-70 -104.55 151.89 23.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.795 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.41 ' HB2' HG12 ' A' ' 88' ' ' VAL . 8.2 m-85 50.62 31.5 5.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.557 ' HA2' ' CE2' ' A' ' 84' ' ' PHE . . . 57.7 26.75 57.97 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.463 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.636 HG21 ' HB3' ' A' ' 136' ' ' LEU . 10.1 p -141.44 125.75 16.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.871 0.367 . . . . 0.0 111.135 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 11.2 m80 -55.42 92.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -124.63 167.21 14.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.092 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 16.7 p -100.31 176.23 5.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -64.37 -45.03 89.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -53.19 -72.45 0.53 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.512 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' CYS . . . . . 0.409 ' O ' ' C ' ' A' ' 95' ' ' LYS . 78.3 m -44.22 -51.82 7.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.904 0.383 . . . . 0.0 110.876 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.589 ' HE3' ' CD2' ' A' ' 85' ' ' HIS . 10.0 ttmt -37.23 -54.1 1.04 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.925 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -55.76 -40.05 78.87 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.47 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.404 ' N ' ' O ' ' A' ' 94' ' ' CYS . 51.7 t80 -58.53 -55.99 27.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.861 0.363 . . . . 0.0 110.891 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -53.24 -61.42 2.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.913 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 16.3 tpt180 -49.35 -58.82 4.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.83 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 11.3 ttp180 -42.99 -52.12 5.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.894 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.404 HG23 ' HB2' ' A' ' 106' ' ' LEU . 36.3 m -58.11 -34.48 70.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.087 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 48.0 mm -74.71 -64.48 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.136 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 16.8 ptt180 -51.74 -29.83 20.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.839 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 30.6 mtp -93.27 -14.59 26.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 37.1 mttm 55.23 45.11 26.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.404 ' HB2' HG23 ' A' ' 101' ' ' THR . 51.0 mt -79.6 140.22 37.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.584 ' O ' ' CD1' ' A' ' 108' ' ' TYR . 14.3 mm-40 -111.47 168.65 9.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.584 ' CD1' ' O ' ' A' ' 107' ' ' GLU . 38.1 m-85 -151.38 165.37 34.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -91.09 138.23 31.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.908 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.46 ' HA ' ' CE1' ' A' ' 127' ' ' TYR . 13.1 ttmt -51.75 110.65 0.49 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 15.3 t -94.97 95.24 8.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.858 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 113' ' ' ARG . 46.3 mt-10 -52.66 -48.56 66.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.435 ' C ' ' O ' ' A' ' 112' ' ' GLU . 3.5 mmp_? -34.85 -36.18 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.902 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 115' ' ' CYS . 24.1 p 57.87 43.08 22.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.878 -179.796 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' CYS . . . . . 0.488 ' N ' ' SG ' ' A' ' 128' ' ' CYS . 5.3 m -35.54 152.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.848 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 32.3 mtmt -109.6 108.89 19.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.871 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 33.6 mm -62.22 116.9 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.16 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 3.2 tp-100 -125.55 158.71 33.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.908 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 15.0 tptp -54.43 -52.26 62.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 3.5 ttmm -45.44 -48.29 13.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.922 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 -125.99 81.63 2.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 49.6 mtt180 -65.69 -54.5 26.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -88.79 88.8 7.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 11.4 tppt? -123.04 -63.79 1.23 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 23.3 t -115.54 140.62 49.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.883 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -85.2 -46.41 11.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.932 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' TYR . . . . . 0.46 ' CE1' ' HA ' ' A' ' 110' ' ' LYS . 75.8 t80 -61.17 -59.53 5.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.929 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 128' ' ' CYS . . . . . 0.488 ' SG ' ' N ' ' A' ' 115' ' ' CYS . 99.3 m -52.08 -57.73 8.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.911 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 7.0 tpt180 -39.87 -48.45 2.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.837 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.491 ' HE1' HD11 ' A' ' 134' ' ' LEU . 40.4 t80 -69.32 -56.33 7.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 131' ' ' GLN . . . . . 0.434 ' HA ' HD12 ' A' ' 134' ' ' LEU . 16.5 mm-40 -44.71 -53.0 7.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.93 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 51.6 tttt -43.4 -51.86 6.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.867 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 133' ' ' CYS . . . . . 0.532 ' HA ' HD12 ' A' ' 136' ' ' LEU . 12.1 m -51.34 -52.76 42.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.858 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.491 HD11 ' HE1' ' A' ' 130' ' ' PHE . 47.7 mt -50.07 -49.21 52.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.13 -38.28 88.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.064 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.636 ' HB3' HG21 ' A' ' 88' ' ' VAL . 59.2 mt -58.99 -29.81 67.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.897 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 118.34 29.27 1.97 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.523 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 6.5 mtt -79.88 176.66 9.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.795 0.331 . . . . 0.0 110.875 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 12.9 t -156.94 147.62 21.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 50.0 p-80 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.856 179.988 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.448 ' O ' ' C ' ' A' ' 66' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 65' ' ' GLY . 84.1 p 34.68 42.09 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.92 0.39 . . . . 0.0 110.857 -179.75 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 89.9 p -93.31 170.32 9.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.839 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -50.2 177.25 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.481 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.8 m -143.63 136.37 27.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.899 0.381 . . . . 0.0 110.847 -179.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 42.7 p -124.2 86.65 2.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.851 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 177.16 -150.42 10.19 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.446 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 9.6 mmt -99.4 144.01 29.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.733 0.301 . . . . 0.0 110.873 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -129.57 143.7 50.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.917 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.416 ' N ' ' HB2' ' A' ' 81' ' ' ALA . 48.4 t -48.46 149.01 1.74 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.836 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 23.4 mmm180 -100.29 -24.02 14.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.891 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 72.1 t -75.0 -59.6 3.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.165 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.414 ' SG ' ' N ' ' A' ' 78' ' ' GLY . 20.1 p -101.46 -45.86 5.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.414 ' N ' ' SG ' ' A' ' 77' ' ' CYS . . . 130.82 -39.57 1.77 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.513 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' ' 80' ' ' LYS . 36.6 t0 -45.06 150.47 0.39 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.884 0.374 . . . . 0.0 110.85 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 79' ' ' ASP . 24.3 mtmt -36.16 133.63 0.46 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.416 ' HB2' ' N ' ' A' ' 74' ' ' CYS . . . -92.47 147.18 23.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.088 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 9.2 t -77.36 -30.62 53.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 156.07 -166.12 32.94 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.454 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.556 ' CZ ' ' HA2' ' A' ' 87' ' ' GLY . 3.4 t80 -66.92 118.05 9.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.888 0.375 . . . . 0.0 110.87 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.477 ' CD2' ' HD3' ' A' ' 95' ' ' LYS . 42.7 m-70 -139.8 110.82 6.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.84 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.425 ' HE1' HD13 ' A' ' 143' ' ' ILE . 64.6 m-85 63.56 31.4 14.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.937 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.556 ' HA2' ' CZ ' ' A' ' 84' ' ' PHE . . . 88.97 -38.45 3.21 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.489 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 8.9 p -98.56 135.91 31.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.875 0.369 . . . . 0.0 111.122 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 49.0 m80 -73.37 91.48 1.74 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -105.49 163.18 12.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.118 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 22.4 p -92.85 173.32 7.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.854 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -56.01 -50.33 71.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -53.25 -70.35 0.95 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.535 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 83.8 m -47.25 -61.94 1.66 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.937 0.399 . . . . 0.0 110.928 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.477 ' HD3' ' CD2' ' A' ' 85' ' ' HIS . 34.6 ttpt -37.67 -56.4 1.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -47.99 -50.51 21.27 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.469 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.507 ' CG ' ' HD3' ' A' ' 129' ' ' ARG . 78.8 t80 -54.67 -56.06 23.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.863 0.363 . . . . 0.0 110.892 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -48.89 -71.51 0.07 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 30.2 ttm180 -41.05 -49.06 3.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 28.7 ttt-85 -53.28 -51.05 63.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.864 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 85.1 m -57.47 -25.98 60.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.107 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.519 HG21 HG13 ' A' ' 143' ' ' ILE . 29.8 mm -84.3 -65.34 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.121 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -50.16 -35.08 24.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.866 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 16.2 mtp -90.17 -18.64 25.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 43.7 mttp 57.43 42.72 24.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 26.6 mt -79.58 143.68 34.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.936 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -107.07 167.57 9.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -147.8 154.42 40.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.939 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -79.69 139.91 37.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.446 ' HA ' ' CZ ' ' A' ' 127' ' ' TYR . 35.7 ttpt -58.17 114.67 2.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 43.8 t -93.93 95.37 9.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 114' ' ' SER . 19.6 mp0 -55.75 -45.38 78.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 40.0 mtt-85 -38.56 -30.27 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 112' ' ' GLU . 46.6 m 54.58 50.38 16.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.841 -179.802 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 6.0 m -45.41 169.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.893 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 61.6 tttt -121.18 109.33 14.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.837 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 23.4 mm -63.06 111.89 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -126.08 160.92 28.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.925 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 7.1 pttp -59.65 -55.6 32.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.44 ' HG3' ' N ' ' A' ' 121' ' ' ASN . 0.1 OUTLIER -48.32 -39.86 23.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 179.875 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ASN . . . . . 0.44 ' N ' ' HG3' ' A' ' 120' ' ' LYS . 24.3 m-80 -132.73 85.15 2.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ARG . . . . . 0.436 ' NH1' ' HB2' ' A' ' 122' ' ' ARG . 20.9 mtm105 -89.27 -51.22 5.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 27.6 t30 -79.71 48.98 0.99 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 32.7 tptt -96.31 -64.65 1.03 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 49.2 t -115.03 144.58 43.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -88.35 -64.4 1.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' TYR . . . . . 0.547 ' CE2' ' HG3' ' A' ' 131' ' ' GLN . 76.2 t80 -44.4 -64.03 0.77 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.982 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 59.2 m -45.03 -46.42 11.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.911 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.507 ' HD3' ' CG ' ' A' ' 97' ' ' PHE . 16.8 ttm180 -53.42 -59.36 4.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -56.96 -39.18 74.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.82 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' GLN . . . . . 0.547 ' HG3' ' CE2' ' A' ' 127' ' ' TYR . 14.1 mm-40 -61.05 -55.08 36.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.922 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 58.1 tttt -45.31 -43.23 10.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.896 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 57.8 m -57.18 -46.98 82.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.903 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 29.5 mt -64.76 -45.84 84.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -54.88 -43.39 73.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.076 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 34.0 mt -63.03 -29.66 70.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 109.48 41.36 1.37 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.475 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 2.9 mtt -75.39 116.14 15.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.8 0.333 . . . . 0.0 110.878 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 1.6 t -65.91 117.23 8.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 22.0 p-80 -88.66 -27.06 21.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.859 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -85.45 39.58 0.79 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.836 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -127.33 -27.13 2.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.103 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' ILE . . . . . 0.519 HG13 HG21 ' A' ' 102' ' ' ILE . 26.6 mm -44.23 -41.66 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.151 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 18.2 tpt85 -76.06 84.93 2.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' PHE . . . . . . . . . . . . . 38.6 t80 -157.99 115.25 2.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 49.76 81.64 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.477 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 28.6 p -131.61 155.09 48.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.899 0.38 . . . . 0.0 110.889 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -61.55 145.83 48.68 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.488 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 109.83 2.41 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.708 2.272 . . . . 0.0 112.377 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 64.9 m -115.87 152.49 33.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.828 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 80.0 p -41.32 108.04 0.08 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.832 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.469 -179.968 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.501 -0.239 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 37.2 m -137.62 154.48 49.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.87 0.367 . . . . 0.0 110.885 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.0 m -101.2 41.75 1.17 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.801 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 145.03 -157.82 27.45 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.485 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 67.0 p -66.99 162.08 22.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.807 0.337 . . . . 0.0 110.878 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 36.1 t -88.77 142.91 27.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.814 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -138.52 -138.74 3.73 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.505 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 3.6 mpp? -41.38 128.33 3.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.748 0.309 . . . . 0.0 110.862 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -144.33 126.39 15.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.906 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 19.6 t -45.11 149.39 0.48 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.88 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 38.0 mmt-85 -99.82 -29.46 12.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 59.2 t -68.45 -50.69 54.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.097 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 30.6 p -104.21 -46.83 4.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.825 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 122.98 -33.52 4.03 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.506 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -49.45 173.18 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.943 0.401 . . . . 0.0 110.836 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 5.9 ttmt -66.86 112.32 4.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.89 176.1 0.33 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.126 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 53.3 p -123.42 -41.71 2.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.811 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -149.52 170.82 29.71 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.449 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.498 ' CE2' ' HA2' ' A' ' 87' ' ' GLY . 9.8 t80 -99.88 89.12 3.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.929 0.395 . . . . 0.0 110.912 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 19.8 m80 -105.94 143.8 33.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.848 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 60.45 26.51 16.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.896 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.498 ' HA2' ' CE2' ' A' ' 84' ' ' PHE . . . 63.18 22.29 64.96 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.463 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.43 HG13 ' O ' ' A' ' 88' ' ' VAL . 12.0 p -139.05 125.57 24.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.827 0.346 . . . . 0.0 111.174 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 35.0 m80 -56.64 96.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.89 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -122.01 156.77 32.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.065 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 17.9 p -96.8 156.36 16.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.482 ' HG3' ' N ' ' A' ' 93' ' ' GLY . 11.6 pt-20 -41.85 -44.84 3.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.482 ' N ' ' HG3' ' A' ' 92' ' ' GLU . . . -55.93 -72.54 0.55 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.538 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' CYS . . . . . 0.436 ' O ' ' C ' ' A' ' 95' ' ' LYS . 67.4 m -52.9 -56.35 16.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.863 0.363 . . . . 0.0 110.846 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 94' ' ' CYS . 0.7 OUTLIER -35.42 -51.73 0.61 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -61.12 -48.06 87.88 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.491 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -44.77 -65.9 0.47 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.926 0.393 . . . . 0.0 110.899 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -41.0 -66.24 0.35 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.839 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 23.9 ttm180 -46.23 -60.48 2.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.841 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 41.3 ttm-85 -39.91 -51.57 2.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.519 HG21 ' CD2' ' A' ' 130' ' ' PHE . 38.9 m -56.8 -39.19 73.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.164 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 21.6 mm -71.43 -58.5 5.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.132 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 2.6 ptp180 -57.6 -30.22 65.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.864 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 39.3 mtp -104.05 0.86 30.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.466 ' N ' ' O ' ' A' ' 101' ' ' THR . 0.1 OUTLIER 41.65 35.12 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.92 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 22.6 mt -57.61 126.68 28.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.926 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -99.09 134.73 41.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -115.91 168.94 9.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.919 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -89.98 130.13 36.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.89 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.504 ' HA ' ' CE2' ' A' ' 127' ' ' TYR . 28.1 tttp -48.69 124.17 7.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.879 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 30.0 t -117.88 98.36 6.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.446 ' O ' ' C ' ' A' ' 113' ' ' ARG . 9.8 mt-10 -64.68 -42.04 95.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.446 ' C ' ' O ' ' A' ' 112' ' ' GLU . 86.8 mtm-85 -34.58 -43.04 0.16 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 115' ' ' CYS . 7.6 t 72.8 39.77 0.64 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 -179.793 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' CYS . . . . . 0.411 ' C ' ' O ' ' A' ' 114' ' ' SER . 7.2 m -37.04 149.01 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.849 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 1.3 mmmm -103.31 110.84 22.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 9.9 mm -64.15 107.57 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.089 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 21.4 mm-40 -110.99 165.98 11.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.954 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 26.1 ttpp -60.64 -50.14 74.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 32.8 mmtm -58.74 -50.25 74.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 -117.46 80.08 1.44 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 30.4 ptt180 -88.74 -41.38 12.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 43.9 m-20 -88.89 39.84 0.95 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 44.7 tptt -82.26 -65.88 0.96 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 20.4 t -112.49 131.94 55.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -77.83 -54.91 5.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.921 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' TYR . . . . . 0.504 ' CE2' ' HA ' ' A' ' 110' ' ' LYS . 38.0 t80 -50.3 -65.6 0.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 59.2 m -46.51 -48.82 19.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.915 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 53.0 ttt180 -46.11 -44.46 15.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.519 ' CD2' HG21 ' A' ' 101' ' ' THR . 23.9 t80 -71.49 -52.31 19.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 21.1 mm100 -46.2 -52.21 12.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.935 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 32.1 tttp -44.75 -50.64 9.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 99.5 m -48.83 -54.54 14.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.896 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 93.4 mt -49.1 -52.42 26.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -57.67 -41.96 82.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.149 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 75.8 mt -58.32 -27.6 64.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 107.37 29.44 4.49 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.477 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 9.3 mtt -75.65 116.52 16.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.793 0.33 . . . . 0.0 110.867 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 17.7 m -73.56 106.08 5.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 35.6 p-80 -71.61 -41.0 69.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.847 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -79.58 44.54 0.62 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -124.19 -33.04 3.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.148 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' ILE . . . . . . . . . . . . . 22.6 mt -57.1 115.81 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.128 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 11.8 tpp180 -65.69 138.85 58.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.839 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -67.3 125.43 26.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -93.3 63.07 2.04 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.455 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 35.7 t -70.52 118.08 12.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.911 0.386 . . . . 0.0 110.853 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -53.21 165.86 1.66 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.483 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 88.67 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.674 2.249 . . . . 0.0 112.351 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 56.2 m 59.23 41.58 19.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 18.9 m -100.14 155.62 17.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.817 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.503 179.982 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 12.6 t -81.61 120.41 25.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.847 0.356 . . . . 0.0 110.869 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 68.8 m -38.64 -47.9 1.39 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.886 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 125.29 -80.72 0.36 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.48 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.1 t -89.23 102.15 14.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.861 0.362 . . . . 0.0 110.89 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 37.7 t -84.04 98.9 10.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.846 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 139.98 159.09 7.84 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.476 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.453 ' O ' ' N ' ' A' ' 81' ' ' ALA . 18.3 mtm 60.06 51.72 5.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.789 0.328 . . . . 0.0 110.875 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 74' ' ' CYS . 6.2 pt-20 -102.84 119.97 39.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.404 ' C ' ' O ' ' A' ' 73' ' ' GLU . 22.7 t -37.99 145.3 0.07 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.889 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 38.5 mmm-85 -96.55 -13.78 22.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 93.6 t -86.06 -56.71 5.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.114 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 31.5 p -96.89 -43.59 7.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 120.3 -30.03 5.74 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.502 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -51.19 174.73 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.92 0.39 . . . . 0.0 110.847 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 10.3 ttpt -69.19 110.75 4.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 72' ' ' MET . . . -54.98 178.6 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.08 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.9 m -119.58 -33.11 4.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.874 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -166.5 -151.22 6.7 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.483 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.482 ' CZ ' ' HA2' ' A' ' 87' ' ' GLY . 2.2 t80 -122.44 119.37 30.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.889 0.376 . . . . 0.0 110.866 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.413 ' CG ' ' HE2' ' A' ' 95' ' ' LYS . 33.5 m-70 -145.87 150.29 35.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.818 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 53.9 35.48 21.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.482 ' HA2' ' CZ ' ' A' ' 84' ' ' PHE . . . 58.05 12.56 11.74 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.449 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 11.0 p -137.62 131.99 44.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.902 0.382 . . . . 0.0 111.084 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 46.6 m80 -64.83 96.53 0.19 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.836 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -115.83 158.0 23.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.093 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 15.5 p -94.8 161.65 14.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.838 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -47.34 -57.37 5.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.9 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -45.63 -72.6 0.36 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.447 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' CYS . . . . . 0.413 ' O ' ' C ' ' A' ' 95' ' ' LYS . 92.7 m -45.06 -52.67 8.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.872 0.367 . . . . 0.0 110.87 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 94' ' ' CYS . 40.6 tttm -36.75 -57.76 0.78 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -54.45 -46.27 73.53 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.497 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -51.97 -67.73 0.23 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.871 0.367 . . . . 0.0 110.867 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.448 ' CZ ' ' HB3' ' A' ' 138' ' ' MET . 69.6 t80 -43.27 -66.59 0.36 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 66.7 ttt-85 -44.06 -61.64 1.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 17.8 ttp180 -46.16 -49.29 17.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 61.1 m -55.79 -27.81 52.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.123 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 47.4 mm -82.37 -61.2 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.164 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.464 ' HD3' ' CG ' ' A' ' 104' ' ' MET . 0.4 OUTLIER -56.54 -23.63 41.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 179.94 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 104' ' ' MET . . . . . 0.464 ' CG ' ' HD3' ' A' ' 103' ' ' ARG . 13.1 mtp -97.89 -5.05 35.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.405 ' HG2' ' C ' ' A' ' 104' ' ' MET . 0.4 OUTLIER 40.37 37.9 0.49 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.905 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.409 ' HG ' ' CB ' ' A' ' 104' ' ' MET . 11.3 mt -67.42 134.77 52.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 55.4 tt0 -95.3 147.91 22.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -128.33 168.63 15.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.877 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -96.13 137.55 35.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.937 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 44.4 tttm -56.46 123.59 15.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 38.2 t -115.43 99.93 7.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.899 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -66.11 -37.56 86.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 73.8 mtt180 -45.05 -24.0 0.2 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.856 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 115' ' ' CYS . 54.1 m 48.38 45.3 20.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.753 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' CYS . . . . . 0.402 ' C ' ' O ' ' A' ' 114' ' ' SER . 8.5 m -37.51 154.05 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.862 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 24.2 tttp -100.83 113.47 26.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.915 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 9.7 mm -71.01 95.15 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.082 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -97.58 161.14 13.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 13.7 ptpt -62.22 -33.66 75.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 9.6 ptmt -90.27 -26.77 19.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.944 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 -118.99 53.35 1.01 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' ARG . . . . . 0.437 ' HG3' ' N ' ' A' ' 123' ' ' ASN . 36.1 ptt180 -85.37 -43.15 13.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' ASN . . . . . 0.437 ' N ' ' HG3' ' A' ' 122' ' ' ARG . 23.2 m120 -83.88 53.44 2.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.905 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 16.5 mtpt -113.11 -64.12 1.35 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.93 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 48.3 t -112.39 136.41 51.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -82.52 -59.72 2.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.967 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -44.88 -70.3 0.11 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 82.2 m -41.27 -38.9 1.24 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.925 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 23.7 ttt85 -55.91 -54.84 39.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.871 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -63.45 -50.16 70.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -47.59 -52.31 18.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 17.9 tttp -47.13 -45.08 22.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 81.6 m -55.89 -54.25 46.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 69.0 mt -56.2 -45.26 79.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -58.89 -42.91 90.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.071 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 76.6 mt -58.17 -29.51 65.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 114.02 26.84 3.66 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.505 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' MET . . . . . 0.448 ' HB3' ' CZ ' ' A' ' 98' ' ' PHE . 5.2 mtt -69.07 126.16 28.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.748 0.308 . . . . 0.0 110.93 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 12.5 t -93.18 123.74 36.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.877 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 41.0 p-80 -85.04 42.93 0.96 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 34.9 t30 -123.03 -49.17 1.97 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -39.53 -38.05 0.55 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.112 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' ILE . . . . . . . . . . . . . 62.5 mt -55.36 -60.1 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.1 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 4.1 ptp180 -96.95 71.87 2.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -153.7 145.66 23.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 119.45 80.03 0.64 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.44 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 48.2 t -133.01 -48.41 0.86 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.935 0.398 . . . . 0.0 110.861 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 134.83 -153.4 21.08 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.472 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 2.38 3.63 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.682 2.254 . . . . 0.0 112.355 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 34.2 t -115.62 166.46 11.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 83.7 p -126.18 -47.77 1.61 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.845 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.473 -179.984 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.4 m -78.37 151.54 32.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.894 0.378 . . . . 0.0 110.86 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 18.3 m -52.0 111.14 0.56 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.798 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -145.58 -122.0 1.45 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.508 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 12.2 t -82.87 44.32 0.91 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.836 0.351 . . . . 0.0 110.88 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.8 m -85.75 129.08 34.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.812 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -69.72 -123.53 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.489 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.463 ' HB3' ' HB3' ' A' ' 81' ' ' ALA . 0.3 OUTLIER -66.38 147.92 52.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.713 0.292 . . . . 0.0 110.88 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -137.4 135.65 37.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.908 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 45.5 t -46.13 148.74 0.8 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -97.56 -29.18 13.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.922 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.539 HG22 ' CD1' ' A' ' 136' ' ' LEU . 69.0 t -70.85 -63.4 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.117 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.418 ' SG ' ' N ' ' A' ' 78' ' ' GLY . 18.6 p -93.78 -45.42 7.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.842 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.418 ' N ' ' SG ' ' A' ' 77' ' ' CYS . . . 125.32 -40.3 1.9 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.511 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.446 ' O ' ' C ' ' A' ' 80' ' ' LYS . 21.4 t70 -41.95 154.3 0.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.838 0.351 . . . . 0.0 110.899 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 79' ' ' ASP . 0.6 OUTLIER -34.0 143.06 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.463 ' HB3' ' HB3' ' A' ' 72' ' ' MET . . . -92.87 143.05 26.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.133 179.784 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 32.2 t -86.35 -56.9 3.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.913 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -150.48 -149.23 4.97 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.505 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.478 ' CE2' ' HA2' ' A' ' 87' ' ' GLY . 21.1 t80 -123.28 93.32 3.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.921 0.391 . . . . 0.0 110.881 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 50.6 m-70 -114.81 144.4 43.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.895 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 57.18 30.05 17.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.946 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.478 ' HA2' ' CE2' ' A' ' 84' ' ' PHE . . . 62.64 17.4 57.41 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.49 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.657 HG21 ' HB3' ' A' ' 136' ' ' LEU . 4.3 p -139.47 136.12 40.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.887 0.375 . . . . 0.0 111.138 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.439 ' NE2' ' HG2' ' A' ' 72' ' ' MET . 32.4 m80 -68.54 97.5 0.78 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -119.12 158.69 25.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.084 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' CYS . . . . . 0.446 ' O ' ' CB ' ' A' ' 95' ' ' LYS . 20.2 p -95.14 176.42 6.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.879 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.408 ' CD ' ' H ' ' A' ' 92' ' ' GLU . 26.8 mp0 -57.0 -50.49 72.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -53.41 -70.46 0.92 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.479 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 57.1 m -53.91 -43.42 69.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.935 0.397 . . . . 0.0 110.881 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.446 ' CB ' ' O ' ' A' ' 91' ' ' CYS . 58.1 tttt -44.7 -47.96 10.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.932 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -72.87 -47.39 25.64 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.44 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.486 ' CE2' ' HG2' ' A' ' 129' ' ' ARG . 24.2 t80 -42.81 -57.78 2.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.913 0.387 . . . . 0.0 110.881 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 79.6 t80 -52.53 -61.65 2.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.46 ' HG3' HD12 ' A' ' 143' ' ' ILE . 54.9 ttt180 -47.66 -62.19 1.57 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.866 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 24.6 ttt180 -44.11 -52.16 7.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.837 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.573 HG21 ' CD1' ' A' ' 130' ' ' PHE . 62.9 m -53.31 -31.53 44.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.102 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 25.6 mm -80.09 -64.27 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.158 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -52.64 -25.62 11.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.887 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 4.3 mtp -94.31 -23.83 17.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.868 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 18.5 mmmt 62.01 38.33 14.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 15.3 mt -78.85 140.15 38.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -123.92 151.25 43.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -126.76 178.7 5.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.968 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.436 ' CD ' ' H ' ' A' ' 109' ' ' GLU . 0.0 OUTLIER -89.77 147.23 23.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.89 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 19.9 tttm -57.75 121.98 11.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.935 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 47.1 t -102.99 104.23 14.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.847 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -66.96 -43.08 84.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 50.7 mtp180 -43.01 -28.34 0.26 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.858 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 46.1 m 52.8 48.12 23.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' CYS . . . . . 0.441 ' N ' ' SG ' ' A' ' 128' ' ' CYS . 5.6 m -40.57 146.27 0.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.868 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 48.2 mtpt -97.43 108.83 21.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 29.1 mm -64.26 90.02 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.106 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -104.0 148.79 25.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 10.3 ptpt -47.46 -46.37 26.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 13.7 ptpt -53.13 -50.06 65.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -128.57 79.14 1.89 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 27.6 ptt-85 -88.22 -31.13 19.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -94.99 45.33 1.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 8.3 tmtm? -95.18 -62.38 1.32 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 46.7 t -114.62 149.06 37.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.859 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -88.49 -65.92 0.97 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -39.86 -59.41 1.19 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' CYS . . . . . 0.441 ' SG ' ' N ' ' A' ' 115' ' ' CYS . 67.9 m -50.23 -42.67 52.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.841 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.486 ' HG2' ' CE2' ' A' ' 97' ' ' PHE . 6.6 ttp180 -56.65 -63.38 1.22 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.573 ' CD1' HG21 ' A' ' 101' ' ' THR . 39.3 t80 -51.43 -51.3 56.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 131' ' ' GLN . . . . . 0.47 ' OE1' HD12 ' A' ' 134' ' ' LEU . 8.6 mm100 -45.71 -53.46 9.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.934 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 48.2 tttt -46.08 -48.81 17.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' CYS . . . . . 0.508 ' HA ' HD12 ' A' ' 136' ' ' LEU . 89.4 m -51.99 -53.2 44.45 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.876 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.47 HD12 ' OE1' ' A' ' 131' ' ' GLN . 92.6 mt -50.19 -50.47 49.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.937 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.01 -37.1 85.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.091 179.77 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.657 ' HB3' HG21 ' A' ' 88' ' ' VAL . 78.7 mt -59.39 -27.18 65.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.898 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 107.11 21.07 8.28 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.506 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 9.6 mtt -68.89 110.0 4.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.814 0.34 . . . . 0.0 110.87 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 15.9 m -82.98 132.95 35.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -72.69 -52.99 12.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 36.5 t-20 -40.72 -30.68 0.13 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' ALA . . . . . 0.452 ' O ' ' C ' ' A' ' 143' ' ' ILE . . . -52.12 -44.67 64.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.089 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 143' ' ' ILE . . . . . 0.46 HD12 ' HG3' ' A' ' 99' ' ' ARG . 7.4 mm -33.79 102.95 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.161 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 2.2 ptt-85 -149.35 151.52 34.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 145' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -113.33 82.5 1.68 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 54.97 -177.01 0.42 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.461 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 28.9 t -83.94 -54.8 4.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.902 0.382 . . . . 0.0 110.87 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 163.3 99.44 0.14 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.501 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -0.07 6.34 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.644 2.23 . . . . 0.0 112.335 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 88.8 p -88.44 -46.01 9.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.823 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 1.3 t -71.33 -59.44 2.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.882 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.262 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.458 -179.974 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.496 -0.241 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.5 t -99.04 111.12 23.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.915 0.388 . . . . 0.0 110.902 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 43.8 t -96.06 108.85 21.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.855 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -170.29 -134.73 1.79 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.556 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 51.5 p -166.38 161.18 16.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.913 0.387 . . . . 0.0 110.843 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 28.1 p -164.22 157.77 18.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.855 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -120.68 47.83 0.99 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.477 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 1.1 tpt -128.77 123.65 33.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.764 0.316 . . . . 0.0 110.892 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -133.14 131.47 40.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.415 ' N ' ' HB2' ' A' ' 81' ' ' ALA . 47.6 t -47.25 126.89 10.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.928 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.44 ' O ' HD11 ' A' ' 136' ' ' LEU . 10.9 mmt85 -85.76 26.59 0.95 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 98.9 t -128.64 -43.42 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.122 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.404 ' SG ' ' N ' ' A' ' 78' ' ' GLY . 22.2 p -120.24 -46.44 2.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.404 ' N ' ' SG ' ' A' ' 77' ' ' CYS . . . 134.43 -37.06 2.0 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.481 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -51.4 157.35 1.03 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.887 0.375 . . . . 0.0 110.837 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 23.3 tttt -40.09 133.05 1.78 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.451 ' O ' ' C ' ' A' ' 82' ' ' SER . . . -87.71 101.66 13.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.076 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 81' ' ' ALA . 10.6 t -34.26 -54.38 0.51 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 173.21 -146.21 8.83 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.438 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.566 ' CZ ' ' HA2' ' A' ' 87' ' ' GLY . 91.5 t80 -85.28 123.48 30.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.915 0.388 . . . . 0.0 110.883 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 22.2 m-70 -152.7 131.76 12.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 54.01 25.56 5.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.909 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.566 ' HA2' ' CZ ' ' A' ' 84' ' ' PHE . . . 83.88 -22.23 8.35 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.468 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.886 HG21 HD13 ' A' ' 136' ' ' LEU . 11.6 p -108.19 133.9 51.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.844 0.354 . . . . 0.0 111.157 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 33.0 m80 -72.18 85.41 1.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -107.48 173.27 6.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.121 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 20.3 p -99.09 155.82 17.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -49.4 -27.4 4.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.926 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -72.45 -36.46 59.13 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.519 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 68.3 m -85.54 -35.72 20.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.877 0.37 . . . . 0.0 110.857 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -49.63 -46.62 49.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -61.83 -52.61 49.29 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.511 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -42.0 -67.22 0.28 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.922 0.391 . . . . 0.0 110.877 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -38.51 -68.94 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.899 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.571 ' HG3' HD12 ' A' ' 143' ' ' ILE . 14.6 ttt85 -41.17 -65.28 0.45 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.841 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 58.4 ttt180 -39.54 -52.75 2.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.563 HG21 ' CD1' ' A' ' 130' ' ' PHE . 27.5 m -51.24 -45.23 61.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.122 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 25.1 mm -67.09 -64.71 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 2.0 ptp180 -49.93 -29.05 7.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.847 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 14.5 mtp -96.32 -15.37 21.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 101' ' ' THR . 23.7 mmmt 50.63 42.8 27.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.884 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 33.7 mt -70.51 118.01 12.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -92.26 133.57 35.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -118.94 172.08 7.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.949 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.433 ' HG2' ' N ' ' A' ' 110' ' ' LYS . 22.4 tt0 -95.3 146.83 24.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.433 ' N ' ' HG2' ' A' ' 109' ' ' GLU . 11.5 tppt? -59.65 125.92 25.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.857 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 48.5 t -112.7 100.65 8.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -67.75 -30.43 69.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 21.8 mmt180 -51.09 -20.34 1.42 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.893 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 115' ' ' CYS . 1.8 m 46.3 47.2 13.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.847 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' CYS . . . . . 0.418 ' C ' ' O ' ' A' ' 114' ' ' SER . 14.5 m -37.12 152.78 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.904 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 7.5 mtpm? -99.49 101.82 13.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 39.5 mm -65.91 109.73 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.158 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -119.68 166.51 13.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 12.3 ptpt -69.63 -20.79 63.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.869 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 10.3 tppt? -77.94 -42.69 32.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.918 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 15.4 p-10 -133.99 66.41 1.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.881 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 21.2 ptt180 -76.37 -22.7 54.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 -100.38 47.8 0.93 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.853 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 6.0 tptm -100.52 -57.33 2.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 30.8 t -117.19 143.67 45.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -86.55 -59.99 2.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 49.8 t80 -45.82 -71.14 0.08 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 93.4 m -39.58 -51.86 2.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.867 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 53.2 ttt180 -47.58 -49.72 25.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.563 ' CD1' HG21 ' A' ' 101' ' ' THR . 40.7 t80 -69.6 -41.8 75.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' GLN . . . . . 0.428 ' HA ' HD12 ' A' ' 134' ' ' LEU . 13.1 mm100 -56.27 -59.36 5.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.936 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 24.9 tttp -40.71 -49.53 3.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.863 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 37.8 m -53.14 -51.53 61.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.873 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.428 HD12 ' HA ' ' A' ' 131' ' ' GLN . 25.9 mt -53.99 -56.19 20.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.956 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -49.69 -36.88 26.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.039 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.886 HD13 HG21 ' A' ' 88' ' ' VAL . 84.1 mt -68.3 -25.06 64.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.943 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 137' ' ' GLY . . . . . 0.443 ' O ' ' C ' ' A' ' 138' ' ' MET . . . 121.08 -12.68 9.77 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.457 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 138' ' ' MET . . . . . 0.443 ' C ' ' O ' ' A' ' 137' ' ' GLY . 2.4 mmt -34.16 126.88 0.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.786 0.327 . . . . 0.0 110.884 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 78.5 p -114.61 129.49 56.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -93.73 21.7 6.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.85 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -97.07 -31.5 12.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -60.18 -25.38 65.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.088 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' ILE . . . . . 0.571 HD12 ' HG3' ' A' ' 99' ' ' ARG . 50.4 mm -47.63 -57.75 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.131 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 50.4 ttt180 -164.35 128.92 2.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 145' ' ' PHE . . . . . 0.443 ' O ' ' CD1' ' A' ' 145' ' ' PHE . 7.1 p90 -122.33 130.91 53.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -162.0 142.69 8.17 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.497 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 72.0 p -119.39 129.39 54.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.933 0.397 . . . . 0.0 110.873 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -114.1 170.99 13.54 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.487 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.81 -30.08 22.61 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.71 2.274 . . . . 0.0 112.282 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 10.8 t -71.58 83.5 0.84 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.835 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 58.2 p -55.29 159.64 2.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.845 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.472 -179.985 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 86.5 p -48.82 120.89 4.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.86 0.362 . . . . 0.0 110.837 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 25.4 m -83.21 42.68 0.83 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -65.75 -139.04 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.503 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 97.3 p -135.28 160.22 39.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.85 0.357 . . . . 0.0 110.885 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 86.2 p -68.4 106.82 2.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.83 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -92.56 -122.24 3.07 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.512 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.438 ' HB3' ' HB3' ' A' ' 81' ' ' ALA . 23.2 mtm -95.87 107.57 19.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.765 0.317 . . . . 0.0 110.851 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -129.29 139.64 51.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.436 ' SG ' ' HB ' ' A' ' 76' ' ' VAL . 42.9 t -65.0 116.69 6.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -58.05 -27.08 63.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.466 HG22 ' CD1' ' A' ' 136' ' ' LEU . 15.6 t -69.19 -71.56 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.098 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 31.8 p -96.6 -47.81 5.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 131.91 -36.41 2.22 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.515 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -39.75 158.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.907 0.384 . . . . 0.0 110.839 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 18.5 mttm -42.32 126.11 3.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.438 ' HB3' ' HB3' ' A' ' 72' ' ' MET . . . -77.5 111.84 13.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.126 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 39.0 t -54.72 -55.45 29.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.796 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -158.33 -138.75 2.55 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.457 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -124.93 91.79 3.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.884 0.374 . . . . 0.0 110.857 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 45.7 m-70 -106.32 141.3 37.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.854 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 42.1 m-85 54.77 41.96 31.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.905 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 54.84 21.45 23.13 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.488 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.456 HG11 ' HG2' ' A' ' 138' ' ' MET . 6.6 p -140.54 136.3 35.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.851 0.358 . . . . 0.0 111.092 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 38.9 m80 -70.93 87.78 0.73 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.826 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -116.62 171.6 7.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.143 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 16.4 p -104.04 172.37 6.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.869 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -61.6 -50.83 71.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -46.86 -47.59 19.03 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.509 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 99.8 m -74.81 -49.79 19.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.908 0.385 . . . . 0.0 110.869 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 21.1 tttp -42.85 -60.31 1.64 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -53.86 -40.96 66.12 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.489 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -59.75 -55.57 32.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.834 0.349 . . . . 0.0 110.875 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -51.3 -54.87 21.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 15.7 ttm180 -56.97 -58.53 7.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.852 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 14.4 ttt180 -42.58 -48.49 5.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.439 ' O ' ' N ' ' A' ' 105' ' ' LYS . 47.3 m -57.1 -42.82 81.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.157 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 48.0 mm -66.65 -63.91 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.112 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 29.1 ptt85 -51.01 -40.42 58.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.81 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 62.8 mtp -84.82 -15.98 42.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.876 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 101' ' ' THR . 15.6 mmtp 53.59 47.34 24.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 24.7 mt -77.48 123.8 27.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -93.82 136.63 33.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.873 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -117.36 158.46 24.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.955 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -85.04 119.34 25.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.909 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.562 ' HA ' ' CE2' ' A' ' 127' ' ' TYR . 2.4 tmmm? -40.24 117.98 0.85 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.879 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 45.9 t -102.27 93.53 5.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 113' ' ' ARG . 39.3 mt-10 -53.58 -46.58 70.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.862 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 112' ' ' GLU . 65.1 mmt-85 -35.07 -40.45 0.12 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.855 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 9.1 t 66.26 45.03 2.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.873 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 9.0 m -37.9 146.51 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.855 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 60.7 mmtt -91.33 109.19 20.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 38.0 mm -66.55 109.17 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.142 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -118.55 161.65 19.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.447 ' HG3' ' N ' ' A' ' 120' ' ' LYS . 12.7 ptmm? -67.8 -42.72 81.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.447 ' N ' ' HG3' ' A' ' 119' ' ' LYS . 0.0 OUTLIER -54.97 -48.32 73.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.932 179.843 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 67.8 m-20 -131.11 81.44 1.99 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.9 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 28.7 ptt180 -87.72 -31.01 19.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -85.22 47.28 1.39 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.906 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 19.1 ttpp -99.96 -62.22 1.27 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 10.9 t -116.89 142.77 46.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.897 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 16.7 mp0 -88.06 -54.51 4.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.933 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' TYR . . . . . 0.562 ' CE2' ' HA ' ' A' ' 110' ' ' LYS . 64.5 t80 -52.67 -58.03 8.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.915 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 65.7 m -51.35 -48.69 62.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.894 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 6.7 tpp85 -53.19 -54.45 35.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -61.59 -58.51 7.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.884 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' GLN . . . . . 0.53 ' HG3' ' CE1' ' A' ' 127' ' ' TYR . 7.3 mm100 -41.45 -47.55 3.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.935 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 25.1 tttp -49.96 -54.86 17.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.879 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 92.1 m -45.12 -48.88 12.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 66.1 mt -54.34 -49.36 69.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.02 -35.84 81.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.107 179.768 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.466 ' CD1' HG22 ' A' ' 76' ' ' VAL . 89.3 mt -61.64 -26.56 68.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 107.76 29.68 4.3 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.499 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' MET . . . . . 0.456 ' HG2' HG11 ' A' ' 88' ' ' VAL . 3.7 mtt -75.14 105.31 6.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.758 0.314 . . . . 0.0 110.902 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 55.3 p -68.94 115.9 8.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.858 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' HIS . . . . . 0.467 ' CG ' ' N ' ' A' ' 141' ' ' ASN . 23.8 p-80 -70.69 -46.62 62.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 141' ' ' ASN . . . . . 0.467 ' N ' ' CG ' ' A' ' 140' ' ' HIS . 1.8 p-10 -41.04 -47.75 3.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.881 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 142' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 141' ' ' ASN . . . -35.23 -42.9 0.2 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.095 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 143' ' ' ILE . . . . . . . . . . . . . 21.8 mt -70.41 -62.95 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.132 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 9.1 mmm180 -43.87 119.25 1.66 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 145' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -130.89 150.12 52.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -146.57 -100.55 0.27 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.476 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 52.2 p -80.25 -48.53 12.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.948 0.404 . . . . 0.0 110.881 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 135.26 151.01 6.14 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.48 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -11.56 31.09 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.706 2.271 . . . . 0.0 112.391 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 36.3 m -90.18 169.99 10.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 151' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 152' ' ' GLY . 24.9 t -55.27 145.66 21.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.891 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 152' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 151' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.483 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.543 -0.223 . . . . 0.0 112.543 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 40.2 t -119.31 142.11 48.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.88 0.371 . . . . 0.0 110.86 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 66.1 p -59.84 124.02 18.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.829 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -62.6 -144.85 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.501 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 37.5 p -123.02 156.98 33.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.814 0.34 . . . . 0.0 110.884 -179.698 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 9.2 t -137.81 126.45 23.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 164.27 -43.67 0.31 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.54 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -125.73 132.66 52.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.721 0.296 . . . . 0.0 110.889 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -148.75 140.67 23.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.511 ' O ' ' N ' ' A' ' 78' ' ' GLY . 41.7 t -64.72 110.47 2.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 39.3 mmt-85 -50.67 -33.88 24.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.926 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 10.8 t -62.6 -71.5 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.133 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 24.3 p -97.36 -45.88 6.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.854 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.511 ' N ' ' O ' ' A' ' 74' ' ' CYS . . . 128.48 -36.19 2.52 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.483 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.428 ' O ' ' C ' ' A' ' 80' ' ' LYS . 13.0 t0 -42.0 157.75 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.902 0.382 . . . . 0.0 110.834 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 79' ' ' ASP . 21.8 pttt -35.72 132.35 0.47 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.8 98.21 10.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.103 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 11.9 t -42.35 -50.81 5.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -167.03 -154.68 8.58 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.437 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -109.66 90.91 3.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.921 0.391 . . . . 0.0 110.911 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 68.2 m-70 -107.0 139.11 41.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 58.21 37.39 26.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.945 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 59.42 20.19 50.22 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.499 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 3.2 p -140.75 138.76 35.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.891 0.377 . . . . 0.0 111.079 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 8.2 m80 -71.84 90.73 1.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -116.58 171.52 7.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 18.9 p -102.65 170.25 8.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.878 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -58.78 -49.4 77.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -49.87 -72.39 0.49 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.519 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' CYS . . . . . 0.419 ' O ' ' C ' ' A' ' 95' ' ' LYS . 89.3 m -41.52 -55.45 2.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.897 0.379 . . . . 0.0 110.919 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 94' ' ' CYS . 12.3 ttmm -36.8 -51.07 0.88 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.924 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -55.83 -46.93 81.99 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.513 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.533 ' CE2' ' HG2' ' A' ' 129' ' ' ARG . 68.6 t80 -60.36 -55.68 30.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.859 0.361 . . . . 0.0 110.88 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.502 ' CZ ' ' HB3' ' A' ' 138' ' ' MET . 74.1 t80 -52.37 -61.16 2.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 28.9 ttm180 -52.46 -53.09 50.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 21.1 ttm180 -46.82 -47.78 21.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 27.8 m -61.04 -37.28 82.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.13 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 13.0 mm -72.46 -63.16 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.111 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 23.5 ptt180 -51.91 -38.5 56.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.938 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 41.5 mtp -88.03 -10.89 48.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.868 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 36.5 mtpt 49.57 49.22 20.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.936 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 47.8 mt -84.69 169.0 14.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -144.85 159.43 42.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.465 ' CD1' ' HB3' ' A' ' 126' ' ' GLN . 55.8 m-85 -140.12 170.71 15.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.931 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -77.84 135.61 37.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.916 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.497 ' HA ' ' CZ ' ' A' ' 127' ' ' TYR . 24.6 ttmt -55.1 137.72 45.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 49.0 t -125.05 112.13 16.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -75.69 -37.47 59.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 58.2 mtp85 -43.65 -25.02 0.14 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.869 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 115' ' ' CYS . 7.6 m 51.92 45.4 28.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.83 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' CYS . . . . . 0.409 ' C ' ' O ' ' A' ' 114' ' ' SER . 10.7 m -37.49 152.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 27.7 mttm -97.8 108.49 21.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 30.6 mm -70.21 109.55 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.152 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 65.0 mt-30 -123.47 161.16 25.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.9 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 16.2 ttpp -38.77 -50.96 1.71 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 35.9 mmtt -80.6 -47.93 13.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.921 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -82.86 44.54 0.93 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 32.1 ttp180 -83.12 -50.69 8.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.86 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -90.99 39.43 0.99 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 29.8 tttm -91.3 -56.98 2.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 33.5 t -117.07 145.47 43.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.877 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.465 ' HB3' ' CD1' ' A' ' 108' ' ' TYR . 50.7 mt-30 -87.36 -52.38 5.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' TYR . . . . . 0.497 ' CZ ' ' HA ' ' A' ' 110' ' ' LYS . 13.6 t80 -58.13 -65.98 0.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 80.2 m -41.15 -42.71 2.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.912 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.533 ' HG2' ' CE2' ' A' ' 97' ' ' PHE . 19.4 ttt180 -55.9 -47.73 76.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.912 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -72.05 -44.54 63.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' GLN . . . . . 0.42 ' CG ' ' CE2' ' A' ' 127' ' ' TYR . 17.4 mm100 -55.05 -52.95 61.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.877 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 59.5 tttt -46.67 -60.62 2.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 34.2 m -42.32 -56.6 2.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 23.5 mt -56.54 -49.76 73.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -52.53 -36.66 55.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.114 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 81.0 mt -67.75 -24.06 65.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.97 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 104.89 28.64 5.54 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.47 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' MET . . . . . 0.502 ' HB3' ' CZ ' ' A' ' 98' ' ' PHE . 9.2 mtt -69.94 107.41 3.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.812 0.339 . . . . 0.0 110.851 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 14.9 m -76.44 133.0 39.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.88 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' HIS . . . . . 0.434 ' O ' ' C ' ' A' ' 141' ' ' ASN . 4.9 p80 -81.6 -43.06 19.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.846 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 141' ' ' ASN . . . . . 0.434 ' C ' ' O ' ' A' ' 140' ' ' HIS . 1.6 m120 -34.85 -41.12 0.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.877 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -46.99 -64.01 0.89 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.096 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' ILE . . . . . 0.673 ' H ' HD12 ' A' ' 143' ' ' ILE . 5.2 mp -38.26 118.66 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.138 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 16.3 mtp180 -77.07 161.16 28.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 145' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -47.82 -59.81 3.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 157.19 123.39 0.76 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.491 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 89.1 p -107.26 104.2 13.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.906 0.384 . . . . 0.0 110.883 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 140.7 -120.36 1.73 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.49 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 120.38 7.18 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.733 2.288 . . . . 0.0 112.337 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 4.5 m -111.35 -55.41 2.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.841 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 91.4 p -77.7 113.81 15.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.484 -179.976 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.501 -0.239 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 27.3 m -146.47 142.09 27.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.864 0.364 . . . . 0.0 110.866 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.1 t -97.46 -48.6 5.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.857 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 69' ' ' SER . . . -130.66 -165.58 11.57 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.489 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 68' ' ' GLY . 13.8 m -37.33 128.34 1.01 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.891 0.377 . . . . 0.0 110.889 -179.717 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 67.9 m -110.42 100.18 9.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.834 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -148.65 -107.15 0.44 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.458 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 3.8 mpp? -126.8 127.18 44.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.791 0.329 . . . . 0.0 110.861 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 26.3 pm0 -158.65 142.94 15.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.469 ' N ' ' HB2' ' A' ' 81' ' ' ALA . 48.7 t -46.96 136.63 8.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.844 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 30.6 mmt180 -92.6 -16.95 25.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.846 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.529 HG22 ' CD1' ' A' ' 136' ' ' LEU . 45.2 t -79.21 -56.64 6.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.096 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.418 ' SG ' ' N ' ' A' ' 78' ' ' GLY . 16.1 p -106.19 -44.78 4.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.418 ' N ' ' SG ' ' A' ' 77' ' ' CYS . . . 132.55 -44.74 1.18 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.471 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 80' ' ' LYS . 29.5 t70 -41.66 149.49 0.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.891 0.377 . . . . 0.0 110.863 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 79' ' ' ASP . 7.8 ttpp -34.45 135.2 0.18 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.469 ' HB2' ' N ' ' A' ' 74' ' ' CYS . . . -87.96 104.15 16.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.087 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 13.4 t -42.95 -47.96 5.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -165.99 -161.3 14.73 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.531 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -105.89 94.59 5.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.916 0.389 . . . . 0.0 110.808 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 35.1 m-70 -110.83 145.1 38.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.843 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 55.52 30.93 16.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 61.95 16.2 51.64 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.532 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.595 HG21 ' HB3' ' A' ' 136' ' ' LEU . 7.9 p -137.25 131.09 44.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.877 0.37 . . . . 0.0 111.116 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 12.7 m80 -59.93 97.81 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.863 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -128.27 156.39 43.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.092 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 19.9 p -93.15 173.5 7.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -60.51 -52.11 66.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.884 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -47.9 -68.9 1.06 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.471 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 98.8 m -44.38 -49.54 9.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.882 0.372 . . . . 0.0 110.876 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 19.8 ttpp -38.97 -66.49 0.28 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -39.73 -53.3 3.05 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.482 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.545 ' CE2' ' HG2' ' A' ' 129' ' ' ARG . 88.6 t80 -51.03 -65.87 0.48 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.841 0.353 . . . . 0.0 110.891 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.471 ' CZ ' ' HB3' ' A' ' 138' ' ' MET . 63.6 t80 -41.73 -69.96 0.12 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.414 ' O ' ' N ' ' A' ' 102' ' ' ILE . 21.8 ttm180 -46.91 -59.91 2.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.405 ' HA ' ' CG ' ' A' ' 103' ' ' ARG . 17.9 ttp180 -42.39 -45.05 4.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 97.5 m -63.0 -33.7 75.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.162 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.414 ' N ' ' O ' ' A' ' 99' ' ' ARG . 35.6 mm -76.88 -56.81 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.165 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.442 ' NH1' ' HB2' ' A' ' 103' ' ' ARG . 3.6 ptm85 -56.37 -29.98 62.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.857 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 21.5 mtp -97.8 -6.59 32.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 54.2 mtpt 46.13 47.66 13.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.92 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 22.4 mt -83.87 129.37 34.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.909 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -114.37 163.4 15.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 33.2 m-85 -148.17 167.98 23.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.93 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -79.04 144.59 34.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.43 ' HA ' ' CE2' ' A' ' 127' ' ' TYR . 32.5 tttp -55.82 110.18 0.69 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 37.3 t -88.98 86.44 6.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.908 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' A' ' 114' ' ' SER . 49.3 mt-10 -49.28 -41.93 39.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 40.3 mtm180 -39.34 -29.34 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.851 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 115' ' ' CYS . 1.8 m 52.24 45.21 28.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.839 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' CYS . . . . . 0.43 ' C ' ' O ' ' A' ' 114' ' ' SER . 8.1 m -35.89 134.69 0.35 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.913 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -84.27 103.98 13.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 23.6 mm -62.67 95.3 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.149 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 44.8 tp60 -103.47 142.14 34.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.943 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 31.1 mtmt -43.65 -49.72 7.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 63.2 tttt -50.81 -48.73 59.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.882 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -130.88 81.89 2.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.89 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 16.6 ptt180 -88.31 -32.2 18.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 32.6 p-10 -88.91 44.31 1.2 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.91 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 23.5 ttmt -90.79 -62.07 1.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 49.8 t -110.76 147.37 34.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 23.7 mp0 -85.93 -64.19 1.19 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' TYR . . . . . 0.569 ' CE2' ' HG3' ' A' ' 131' ' ' GLN . 65.1 t80 -45.54 -68.04 0.23 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 95.8 m -41.68 -50.12 4.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.545 ' HG2' ' CE2' ' A' ' 97' ' ' PHE . 38.1 ttt180 -50.17 -50.53 48.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.463 ' CE2' HD11 ' A' ' 134' ' ' LEU . 31.0 t80 -65.85 -53.23 42.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' GLN . . . . . 0.569 ' HG3' ' CE2' ' A' ' 127' ' ' TYR . 29.6 mm-40 -47.69 -50.61 24.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.05 -53.29 20.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 5.5 m -51.19 -50.93 58.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.463 HD11 ' CE2' ' A' ' 130' ' ' PHE . 74.8 mt -55.78 -48.36 75.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -59.5 -32.94 70.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.112 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.595 ' HB3' HG21 ' A' ' 88' ' ' VAL . 71.5 mt -65.85 -28.57 69.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.969 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 114.56 23.8 4.61 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.482 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' MET . . . . . 0.471 ' HB3' ' CZ ' ' A' ' 98' ' ' PHE . 7.8 mtt -69.24 114.06 7.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.805 0.336 . . . . 0.0 110.844 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 4.1 t -74.91 112.27 10.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 47.8 p-80 -85.45 -12.52 51.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.878 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -89.97 5.19 47.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -106.82 32.04 4.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.118 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' ILE . . . . . . . . . . . . . 13.9 mm -94.77 87.82 2.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.135 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 12.5 tpp180 -160.51 122.73 3.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 145' ' ' PHE . . . . . . . . . . . . . 20.2 p90 -71.81 -43.89 64.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -167.16 150.72 17.8 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.489 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 16.0 t -53.68 114.73 1.65 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.855 0.359 . . . . 0.0 110.839 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 133.7 101.76 0.75 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.514 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 86.19 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.64 2.226 . . . . 0.0 112.353 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 150' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 151' ' ' SER . 1.2 t -123.72 95.67 4.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.827 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 151' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 150' ' ' SER . 21.7 m -37.11 151.77 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.847 -179.826 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.49 -179.98 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.5 m -157.34 153.54 27.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.899 0.38 . . . . 0.0 110.852 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 13.4 t -78.88 142.31 36.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.868 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -87.34 68.2 3.19 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.485 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 46.9 t -95.63 -50.75 4.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.899 0.38 . . . . 0.0 110.811 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 96.2 p -64.72 -48.1 75.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.844 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -61.68 -172.66 1.25 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.481 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 33.1 mmt -69.23 169.21 12.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.746 0.308 . . . . 0.0 110.854 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -155.03 138.74 16.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 42.8 t -44.24 150.63 0.29 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.896 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -101.36 -25.36 13.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 38.6 t -75.63 -58.67 4.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.14 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 15.1 p -99.36 -41.06 7.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 119.99 -39.8 2.37 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.501 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 80' ' ' LYS . 26.9 t70 -42.22 151.83 0.1 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.854 0.359 . . . . 0.0 110.888 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 79' ' ' ASP . 23.6 tttt -35.24 136.95 0.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.935 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -87.78 141.86 28.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.133 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 47.1 t -92.03 -39.57 11.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.838 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -160.44 -158.73 9.42 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.507 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -122.6 89.01 3.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.884 0.373 . . . . 0.0 110.893 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 42.0 m-70 -106.86 140.4 39.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.878 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 64.7 28.25 13.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.938 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 62.86 19.38 60.9 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.464 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.408 HG21 ' HB3' ' A' ' 136' ' ' LEU . 5.5 p -138.55 139.42 41.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.903 0.382 . . . . 0.0 111.113 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 15.8 m80 -67.52 90.83 0.26 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -118.7 157.31 27.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.116 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 20.4 p -95.46 172.93 7.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -56.04 -49.21 74.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.903 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -52.73 -70.67 0.84 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.475 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 64.1 m -52.07 -47.62 65.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.894 0.378 . . . . 0.0 110.871 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 34.3 tttt -42.25 -49.36 5.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -63.51 -60.94 6.75 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.481 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.563 ' CE2' ' HD3' ' A' ' 129' ' ' ARG . 39.3 t80 -38.09 -62.33 0.58 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.894 0.378 . . . . 0.0 110.888 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.547 ' CE2' ' HB3' ' A' ' 138' ' ' MET . 73.7 t80 -46.15 -55.12 7.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.558 ' NE ' HH21 ' A' ' 103' ' ' ARG . 29.4 ttt180 -55.76 -66.06 0.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.45 ' HA ' ' CG ' ' A' ' 103' ' ' ARG . 34.5 ttt180 -39.28 -49.12 1.92 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.858 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 90.9 m -56.81 -37.64 71.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.109 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.447 ' O ' ' N ' ' A' ' 105' ' ' LYS . 43.1 mm -77.55 -65.53 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.15 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.558 HH21 ' NE ' ' A' ' 99' ' ' ARG . 3.6 ptp180 -43.9 -28.93 0.5 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 25.7 mtp -98.91 -21.96 16.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 102' ' ' ILE . 34.6 mmtt 63.36 47.36 3.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 24.7 mt -81.45 146.75 30.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.867 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -116.43 159.82 21.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 49.5 m-85 -140.8 146.78 38.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.944 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.521 ' O ' ' CD2' ' A' ' 127' ' ' TYR . 8.0 pt-20 -55.76 162.07 1.9 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.909 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 45.7 tttt -77.71 116.42 18.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.939 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 16.4 t -105.11 115.12 29.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.85 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -85.44 -29.33 24.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 60.9 mtt180 -51.05 -22.97 2.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 115' ' ' CYS . 27.5 m 51.49 43.41 29.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.757 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' CYS . . . . . 0.426 ' C ' ' O ' ' A' ' 114' ' ' SER . 9.2 m -36.51 137.61 0.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.887 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 23.6 ttmt -89.28 109.72 20.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 28.1 mm -66.0 105.53 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.119 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 62.6 mt-30 -102.71 163.54 12.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.906 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 47.0 pttt -62.94 -43.26 99.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.845 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 48.9 mttm -62.62 -52.34 63.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 39.2 m-20 -105.65 92.36 4.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 82.7 mtm-85 -87.06 -54.81 4.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.897 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -81.53 43.8 0.76 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 12.5 tmtt? -78.52 -63.58 1.37 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 35.8 t -118.42 137.49 53.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.453 ' HA ' ' NE2' ' A' ' 126' ' ' GLN . 6.0 mm-40 -78.88 -45.91 19.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.89 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' TYR . . . . . 0.521 ' CD2' ' O ' ' A' ' 109' ' ' GLU . 40.0 t80 -64.34 -71.74 0.17 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 84.4 m -41.26 -55.47 2.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.854 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.563 ' HD3' ' CE2' ' A' ' 97' ' ' PHE . 41.3 ttt85 -44.61 -45.1 9.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -69.33 -60.27 2.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 40.5 mm-40 -41.81 -45.38 3.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.29 -54.66 28.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.909 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 133' ' ' CYS . . . . . 0.468 ' HB3' ' CD1' ' A' ' 98' ' ' PHE . 65.0 m -49.7 -39.21 36.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 93.1 mt -64.63 -48.04 76.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.926 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -57.59 -38.22 74.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.113 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.408 ' HB3' HG21 ' A' ' 88' ' ' VAL . 59.7 mt -60.92 -28.42 68.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 109.71 6.72 28.41 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.473 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' MET . . . . . 0.547 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 7.2 mtt -51.41 116.24 1.97 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.801 0.334 . . . . 0.0 110.897 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 1.6 t -75.89 157.63 33.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.849 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' HIS . . . . . 0.418 ' O ' ' C ' ' A' ' 141' ' ' ASN . 15.9 m170 -105.97 -46.3 4.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.873 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 141' ' ' ASN . . . . . 0.418 ' C ' ' O ' ' A' ' 140' ' ' HIS . 58.9 t30 -37.1 -46.5 0.69 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.892 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 142' ' ' ALA . . . . . 0.42 ' O ' ' C ' ' A' ' 143' ' ' ILE . . . -40.47 -63.9 0.58 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.07 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 143' ' ' ILE . . . . . 0.523 ' H ' HD12 ' A' ' 143' ' ' ILE . 3.4 mp -36.24 -52.45 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.063 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 51.7 ttt180 -87.53 110.37 20.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 145' ' ' PHE . . . . . . . . . . . . . 31.9 p90 -61.76 153.53 28.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 84.25 172.55 49.09 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.448 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 60.7 p -85.08 157.24 20.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.927 0.394 . . . . 0.0 110.907 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 149.73 146.01 4.24 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.501 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -9.58 26.46 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.69 2.26 . . . . 0.0 112.353 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 3.9 m 60.08 36.13 21.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 4.7 m -139.91 150.19 44.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.856 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.521 -179.987 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 20.8 m 60.93 42.21 13.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.897 0.38 . . . . 0.0 110.862 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 66.5 m -120.28 -46.63 2.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.901 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.41 -104.24 1.98 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.47 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 66.9 m -105.98 109.58 21.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.915 0.388 . . . . 0.0 110.869 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 71.9 p -50.49 -52.43 38.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.83 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 125.18 -108.09 1.05 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.527 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.42 140.08 49.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.747 0.308 . . . . 0.0 110.858 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -149.58 154.64 39.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.862 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 44.8 t -66.23 147.34 53.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.924 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 22.4 mmt180 -90.18 -25.58 20.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 66.1 t -74.52 -70.96 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.104 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.4 ' SG ' ' N ' ' A' ' 78' ' ' GLY . 31.2 p -86.89 -48.22 8.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.4 ' N ' ' SG ' ' A' ' 77' ' ' CYS . . . 127.49 -34.24 3.09 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.514 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.447 ' O ' ' C ' ' A' ' 80' ' ' LYS . 23.8 t70 -48.86 150.72 1.4 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.859 0.361 . . . . 0.0 110.87 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 79' ' ' ASP . 18.2 tttt -34.07 137.61 0.1 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -84.94 145.56 27.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.1 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 25.0 m -93.75 -47.24 6.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -154.42 -175.95 26.18 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.474 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -103.58 89.29 3.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.882 0.373 . . . . 0.0 110.908 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 18.6 m-70 -110.73 147.23 34.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.868 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.439 ' HB2' HG12 ' A' ' 88' ' ' VAL . 4.9 m-85 58.07 30.7 19.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.929 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 60.49 13.29 29.68 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.445 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.439 HG12 ' HB2' ' A' ' 86' ' ' TYR . 7.0 p -134.07 132.3 55.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.88 0.372 . . . . 0.0 111.12 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 25.1 m80 -62.12 91.08 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -116.26 164.38 14.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.119 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 17.8 p -102.83 159.03 15.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.882 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -46.36 -47.98 18.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -50.6 -68.73 1.33 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.492 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 84.9 m -55.24 -48.59 73.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.952 0.406 . . . . 0.0 110.907 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 20.6 tttm -38.2 -65.62 0.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.931 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -48.01 -60.46 5.53 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.46 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.476 ' CE1' ' HG2' ' A' ' 129' ' ' ARG . 11.7 t80 -38.15 -60.54 0.75 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.888 0.375 . . . . 0.0 110.881 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -44.96 -68.16 0.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 19.7 ttm180 -46.42 -58.29 3.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 17.7 ttt180 -41.94 -57.81 2.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 61.9 m -53.18 -30.66 38.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.184 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.419 HG21 ' CD1' ' A' ' 143' ' ' ILE . 48.4 mm -76.57 -64.07 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.163 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 28.2 ptt180 -53.56 -24.88 14.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' MET . . . . . 0.445 ' CB ' ' HG ' ' A' ' 106' ' ' LEU . 11.6 mtp -96.25 -14.13 22.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 24.7 mtpp 51.2 36.67 16.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.938 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.445 ' HG ' ' CB ' ' A' ' 104' ' ' MET . 23.8 mt -74.66 146.85 42.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 12.8 pm0 -114.99 169.51 9.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -148.96 164.97 33.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.942 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -73.47 139.16 45.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.891 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.45 ' HA ' ' CE2' ' A' ' 127' ' ' TYR . 22.1 ttmt -63.75 128.73 37.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 49.9 t -120.05 107.45 13.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.845 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -73.83 -32.81 63.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.863 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 74.1 mtp180 -47.21 -21.84 0.32 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 115' ' ' CYS . 47.0 m 48.65 45.87 21.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' CYS . . . . . 0.454 ' N ' ' SG ' ' A' ' 128' ' ' CYS . 14.0 m -36.46 151.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.88 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 6.5 tmtm? -103.53 109.62 21.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 25.6 mm -62.88 108.05 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.116 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -117.06 141.08 48.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.955 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 28.3 ttpt -47.09 -52.23 15.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.937 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 27.1 mttt -45.43 -55.09 6.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -130.31 80.99 1.98 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 30.5 ptt-85 -84.99 -34.74 22.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.844 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 43.9 t-20 -80.2 59.21 3.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 20.8 ttpt -112.19 -65.51 1.17 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 33.9 t -112.65 137.54 50.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -87.68 -55.19 3.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.941 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' TYR . . . . . 0.49 ' CE1' ' HG3' ' A' ' 131' ' ' GLN . 44.5 t80 -47.29 -56.02 7.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' CYS . . . . . 0.454 ' SG ' ' N ' ' A' ' 115' ' ' CYS . 47.2 m -53.19 -55.8 21.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.905 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.476 ' HG2' ' CE1' ' A' ' 97' ' ' PHE . 13.5 ttm-85 -40.06 -53.17 2.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -62.78 -45.17 93.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' GLN . . . . . 0.49 ' HG3' ' CE1' ' A' ' 127' ' ' TYR . 16.6 mm-40 -51.42 -55.87 16.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 27.1 tttp -42.32 -58.27 2.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 55.3 m -42.2 -46.48 4.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.881 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.488 ' CD2' ' NE2' ' A' ' 140' ' ' HIS . 46.1 mt -63.64 -57.23 10.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -51.35 -34.31 33.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.113 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 65.6 mt -64.34 -26.22 68.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 108.44 14.84 15.07 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.504 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 17.1 mtt -59.18 121.48 11.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.738 0.304 . . . . 0.0 110.878 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 8.2 t -88.24 119.25 28.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.87 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' HIS . . . . . 0.488 ' NE2' ' CD2' ' A' ' 134' ' ' LEU . 12.9 m80 -69.4 -49.63 53.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.851 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 141' ' ' ASN . . . . . 0.434 ' O ' ' C ' ' A' ' 142' ' ' ALA . 32.2 m120 -38.92 -46.53 1.33 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 142' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 141' ' ' ASN . . . -34.63 -52.07 0.5 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.134 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 143' ' ' ILE . . . . . 0.419 ' CD1' HG21 ' A' ' 102' ' ' ILE . 20.1 mt -41.91 112.07 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.153 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -84.25 145.96 28.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 145' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -96.07 154.75 17.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 127.12 -153.26 18.96 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.481 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 5.4 m -81.0 116.02 20.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.905 0.383 . . . . 0.0 110.859 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -86.44 -172.44 48.53 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.503 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 149' ' ' PRO . . . . . 0.466 ' O ' ' N ' ' A' ' 151' ' ' SER . 53.7 Cg_endo -69.74 -9.28 25.74 Favored 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.712 2.275 . . . . 0.0 112.315 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 150' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 149' ' ' PRO . 37.1 t -35.62 95.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.84 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 151' ' ' SER . . . . . 0.466 ' N ' ' O ' ' A' ' 149' ' ' PRO . 57.2 p -49.05 -50.06 38.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.838 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.515 -179.981 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 14.6 t 45.59 41.82 7.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.863 0.363 . . . . 0.0 110.848 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.2 t -117.35 119.08 34.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.83 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 177.1 -79.93 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.494 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 47.3 p -116.72 -56.87 2.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.884 0.373 . . . . 0.0 110.858 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 29.6 t -93.56 89.45 6.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.842 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -97.13 130.96 10.43 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.453 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 4.2 mpp? -116.97 115.94 26.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.7 0.286 . . . . 0.0 110.932 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -153.74 144.73 22.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.846 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 42.5 t -67.53 132.33 47.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.847 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.487 ' CZ ' ' HB3' ' A' ' 75' ' ' ARG . 2.6 mmm180 -88.37 25.1 1.73 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.854 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 63.7 t -128.98 -40.0 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.127 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 32.0 p -119.98 -47.02 2.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 132.51 -40.76 1.57 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.523 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 80' ' ' LYS . 21.4 t0 -52.38 155.65 2.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.896 0.379 . . . . 0.0 110.815 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 79' ' ' ASP . 0.1 OUTLIER -36.25 153.84 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -113.22 126.92 55.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.066 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 11.1 t -55.29 -53.61 53.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.44 ' O ' ' CD2' ' A' ' 85' ' ' HIS . . . 172.99 -156.59 25.01 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.474 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.529 ' CZ ' ' HA2' ' A' ' 87' ' ' GLY . 2.9 t80 -68.46 130.02 41.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.902 0.382 . . . . 0.0 110.891 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.44 ' CD2' ' O ' ' A' ' 83' ' ' GLY . 78.4 m-70 -153.46 117.72 4.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.824 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 59.05 27.88 16.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.529 ' HA2' ' CZ ' ' A' ' 84' ' ' PHE . . . 88.58 -27.03 7.42 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.49 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.533 HG21 HD13 ' A' ' 136' ' ' LEU . 8.6 p -108.07 137.95 37.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.887 0.375 . . . . 0.0 111.109 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 64.9 m80 -74.87 97.56 3.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -115.41 171.73 7.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.06 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 14.8 p -101.21 169.37 8.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -51.32 -54.09 29.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -45.86 -71.67 0.48 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.497 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 56.3 m -53.14 -45.32 68.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.892 0.377 . . . . 0.0 110.849 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 27.9 ttmt -41.87 -59.11 1.8 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -57.29 -49.95 68.56 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.482 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.505 ' CE1' ' HD3' ' A' ' 129' ' ' ARG . 69.6 t80 -47.78 -68.58 0.17 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.843 0.354 . . . . 0.0 110.856 -179.818 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.577 ' CZ ' ' HB3' ' A' ' 138' ' ' MET . 87.1 t80 -43.3 -68.69 0.18 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.881 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 102' ' ' ILE . 0.0 OUTLIER -37.61 -63.03 0.48 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.921 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 20.5 ttt-85 -39.38 -46.43 1.63 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 22.3 m -59.92 -39.15 84.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.124 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.435 ' N ' ' O ' ' A' ' 99' ' ' ARG . 33.6 mm -71.98 -64.13 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.13 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 6.8 ptt180 -49.8 -34.17 18.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.886 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 66.7 mtp -91.26 -12.23 35.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.863 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 41.1 mtmt 51.79 46.14 27.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 42.6 mt -80.25 165.28 22.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.946 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -141.46 137.97 32.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.483 ' CE1' ' HB3' ' A' ' 126' ' ' GLN . 31.0 m-85 -113.8 155.65 25.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -72.66 138.5 46.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.89 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 2.5 ttmp? -49.93 117.01 2.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 18.3 t -104.45 93.15 4.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.939 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -61.48 -35.38 77.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.884 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 35.9 mtt180 -46.23 -21.03 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.4 m 46.18 49.89 12.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 13.8 m -42.89 163.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.874 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 4.9 mmmm -112.11 113.03 25.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.892 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 9.5 mm -70.68 103.19 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.129 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -97.81 178.24 5.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.933 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 37.8 pttt -84.33 -17.09 40.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 48.1 tttt -85.17 -43.82 13.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 53.4 m-20 -114.88 55.32 0.76 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.877 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 23.1 mtt85 -51.5 -22.99 3.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 12.4 p-10 -114.26 53.61 0.79 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.844 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -87.34 -59.95 2.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 34.0 t -115.11 143.71 44.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.483 ' HB3' ' CE1' ' A' ' 108' ' ' TYR . 19.8 mt-30 -84.63 -40.69 17.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 127' ' ' TYR . . . . . 0.48 ' CE2' ' HG3' ' A' ' 131' ' ' GLN . 61.6 t80 -72.23 -70.81 0.32 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' CYS . . . . . 0.419 ' C ' ' O ' ' A' ' 127' ' ' TYR . 98.1 m -36.6 -53.88 0.88 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.931 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.505 ' HD3' ' CE1' ' A' ' 97' ' ' PHE . 39.6 ttt180 -46.55 -56.47 5.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 27.5 t80 -59.32 -46.2 89.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' GLN . . . . . 0.48 ' HG3' ' CE2' ' A' ' 127' ' ' TYR . 12.5 mm100 -54.07 -58.51 7.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.836 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 42.0 tttt -39.92 -50.51 2.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 33.6 m -53.33 -54.07 41.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.927 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.402 HD12 ' HA ' ' A' ' 131' ' ' GLN . 35.5 mt -50.03 -45.71 52.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.916 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -60.2 -41.24 92.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.109 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.533 HD13 HG21 ' A' ' 88' ' ' VAL . 77.9 mt -59.92 -29.15 68.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 107.73 31.1 3.77 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.48 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' MET . . . . . 0.577 ' HB3' ' CZ ' ' A' ' 98' ' ' PHE . 7.1 mtt -71.27 121.99 19.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.799 0.333 . . . . 0.0 110.888 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 139' ' ' SER . . . . . 0.413 ' OG ' ' HB3' ' A' ' 142' ' ' ALA . 34.5 p -85.02 162.05 19.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 -179.803 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 140' ' ' HIS . . . . . 0.43 ' HA ' HD11 ' A' ' 143' ' ' ILE . 9.8 p80 -116.03 -27.8 6.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.815 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -82.47 -20.41 36.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 142' ' ' ALA . . . . . 0.413 ' HB3' ' OG ' ' A' ' 139' ' ' SER . . . -98.14 33.15 2.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.094 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 143' ' ' ILE . . . . . 0.43 HD11 ' HA ' ' A' ' 140' ' ' HIS . 64.6 mt -90.31 -37.08 9.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.131 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 22.0 ttp180 -129.88 153.9 47.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.917 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 145' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -117.23 129.08 55.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 156.75 71.87 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.484 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 6.1 t -74.78 132.67 41.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.936 0.398 . . . . 0.0 110.812 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -179.81 -162.48 28.85 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.499 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 96.37 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.679 2.252 . . . . 0.0 112.321 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 94.5 p -46.5 155.89 0.21 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 1.4 t -51.58 -59.72 3.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.831 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.488 179.977 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.8 t -94.56 98.94 11.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.869 0.366 . . . . 0.0 110.889 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 30.5 t -143.69 143.71 31.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -167.83 -178.75 40.04 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.484 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 28.1 t -82.81 45.99 1.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.911 0.386 . . . . 0.0 110.862 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 85.5 p -56.33 -46.93 79.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.858 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 99.32 -50.73 1.15 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.454 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 50.4 mtm -140.91 141.96 34.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.725 0.297 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -135.72 137.28 41.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 45.9 t -43.15 138.38 2.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 23.4 mmt85 -97.86 23.27 8.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.811 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 96.5 t -125.72 -42.06 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.126 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 29.1 p -115.37 -46.57 2.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 130.76 -31.34 3.24 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.476 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 80' ' ' LYS . 17.3 t70 -56.81 150.43 16.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.896 0.379 . . . . 0.0 110.922 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 79' ' ' ASP . 16.9 pttm -37.15 135.4 0.5 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -82.55 130.88 35.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.058 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 5.3 t -70.64 -50.5 36.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.832 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -170.33 -178.89 41.47 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.482 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -85.31 93.6 8.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.91 0.386 . . . . 0.0 110.873 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.524 ' CG ' ' HD3' ' A' ' 95' ' ' LYS . 22.8 m-70 -115.89 138.56 51.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.449 ' HE1' HD11 ' A' ' 143' ' ' ILE . 18.5 m-85 62.32 25.24 15.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 72.19 11.85 75.58 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.463 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.6 HG21 HD13 ' A' ' 136' ' ' LEU . 11.5 p -137.08 146.2 28.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.899 0.381 . . . . 0.0 111.166 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 50.7 m80 -77.68 92.55 4.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.841 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -117.61 166.05 12.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.135 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 26.4 p -100.08 172.44 7.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -59.98 -21.85 61.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -77.81 -72.92 1.11 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.454 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 62.5 m -48.68 -20.54 0.47 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.901 0.381 . . . . 0.0 110.89 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.524 ' HD3' ' CG ' ' A' ' 85' ' ' HIS . 2.7 mtmp? -70.64 -59.04 3.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -52.05 -37.55 45.74 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.504 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -61.04 -61.9 2.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.934 0.397 . . . . 0.0 110.929 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -48.99 -68.77 0.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.929 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 27.7 ttp180 -39.91 -49.06 2.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 15.5 ttp180 -58.04 -58.06 10.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 49.1 m -50.32 -20.74 1.16 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.146 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 45.8 mm -86.7 -63.26 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.119 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.437 ' HD2' ' CG ' ' A' ' 104' ' ' MET . 0.2 OUTLIER -60.68 -21.09 62.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.834 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 104' ' ' MET . . . . . 0.437 ' CG ' ' HD2' ' A' ' 103' ' ' ARG . 33.2 mtp -96.33 -10.12 28.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.35 42.27 28.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 36.0 mt -79.87 147.36 31.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.439 ' O ' ' CD1' ' A' ' 108' ' ' TYR . 4.7 pt-20 -130.08 163.41 26.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.439 ' CD1' ' O ' ' A' ' 107' ' ' GLU . 40.3 m-85 -149.96 179.1 8.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.929 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -85.98 139.21 31.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.908 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.431 ' HA ' ' CE2' ' A' ' 127' ' ' TYR . 34.8 ttpt -57.36 143.98 37.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.94 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 9.3 t -132.14 107.75 8.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 114' ' ' SER . 5.2 mm-40 -80.02 -36.08 36.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 62.1 mtp180 -39.8 -28.35 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.829 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 115' ' ' CYS . 8.0 t 61.4 44.07 9.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.817 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' CYS . . . . . 0.446 ' C ' ' O ' ' A' ' 114' ' ' SER . 38.8 m -34.48 132.63 0.28 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 10.9 pttm -85.17 88.11 7.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.495 HD12 ' HA ' ' A' ' 129' ' ' ARG . 2.0 mt -66.88 111.02 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -119.09 166.97 12.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.908 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 22.2 pttm -54.14 -39.63 66.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 10.9 mmtp -59.35 -53.37 58.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.882 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -123.46 86.73 2.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 65.4 mtp180 -87.73 -37.35 16.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -87.81 48.47 1.65 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.857 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 6.8 tmtt? -95.21 -61.4 1.48 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.928 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 50.3 t -118.13 144.02 46.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 4.8 mp0 -86.68 -61.53 1.71 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.886 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' TYR . . . . . 0.431 ' CE2' ' HA ' ' A' ' 110' ' ' LYS . 19.0 t80 -48.06 -63.53 1.04 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.931 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 33.8 m -42.75 -47.09 5.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.905 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.495 ' HA ' HD12 ' A' ' 117' ' ' ILE . 28.4 ttt180 -52.07 -64.43 0.82 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.791 ' CE2' HD11 ' A' ' 134' ' ' LEU . 60.1 t80 -54.63 -46.99 73.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 50.1 mm-40 -51.92 -54.13 33.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.912 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 48.6 tttt -44.6 -46.96 10.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 9.2 m -55.46 -56.23 22.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.833 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.791 HD11 ' CE2' ' A' ' 130' ' ' PHE . 13.5 mt -57.53 -44.76 85.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -57.77 -41.13 81.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.101 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.6 HD13 HG21 ' A' ' 88' ' ' VAL . 50.1 mt -62.98 -30.41 71.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 121.06 18.67 3.78 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.504 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 6.2 mtt -61.5 105.83 0.57 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.788 0.328 . . . . 0.0 110.858 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 37.1 t -84.85 124.47 31.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.846 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -70.96 -33.76 70.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.843 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -43.2 -44.94 5.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 142' ' ' ALA . . . . . 0.435 ' O ' ' C ' ' A' ' 143' ' ' ILE . . . -41.05 -69.63 0.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.115 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 143' ' ' ILE . . . . . 0.68 ' H ' HD12 ' A' ' 143' ' ' ILE . 5.2 mp -34.8 -51.72 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.128 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.431 ' C ' ' HD3' ' A' ' 144' ' ' ARG . 0.3 OUTLIER -151.93 119.0 5.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 145' ' ' PHE . . . . . . . . . . . . . 44.5 p90 -145.4 121.49 10.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -127.27 -172.41 13.25 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.432 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 23.6 t -41.17 -54.13 2.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.869 0.366 . . . . 0.0 110.855 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 81.29 86.06 0.68 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.485 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -7.65 21.6 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.676 2.25 . . . . 0.0 112.391 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 13.3 t -88.15 -45.49 10.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 21.1 t 55.47 42.04 30.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.881 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.438 -179.999 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 59.7 p -61.61 127.93 33.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.879 0.371 . . . . 0.0 110.819 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 56.7 p -125.97 99.11 5.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.871 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 99.56 120.92 4.51 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.452 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.5 t -75.34 108.79 8.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.851 0.358 . . . . 0.0 110.888 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 45.1 m 41.27 44.62 2.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.884 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -82.41 -69.99 1.37 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.453 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 2.4 mpt? -145.57 132.18 19.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.766 0.317 . . . . 0.0 110.868 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -145.11 153.03 40.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.867 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 42.5 t -61.44 135.85 57.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.699 ' O ' HD11 ' A' ' 136' ' ' LEU . 17.1 mmt180 -93.38 24.89 3.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 69.7 t -129.0 -38.14 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.082 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 32.1 p -121.5 -46.67 2.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 129.37 -37.98 2.09 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.467 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -45.92 171.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.874 0.368 . . . . 0.0 110.855 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 10.2 pttp -57.29 142.57 42.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.869 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -87.65 120.26 28.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.086 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 31.4 t -69.99 -52.81 21.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -148.24 -159.95 8.74 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.499 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -120.91 87.78 2.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.867 0.365 . . . . 0.0 110.919 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 54.4 m-70 -105.08 145.52 30.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 60.9 26.93 16.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 61.74 20.2 59.3 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.439 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.538 HG21 ' HB3' ' A' ' 136' ' ' LEU . 4.2 p -137.43 131.13 44.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.87 0.367 . . . . 0.0 111.138 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 11.9 m80 -58.15 91.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -120.17 161.37 21.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.058 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 14.7 p -100.34 168.3 9.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.932 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -54.09 -51.8 63.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.845 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -47.49 -69.78 0.84 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.481 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' CYS . . . . . 0.43 ' O ' ' C ' ' A' ' 95' ' ' LYS . 64.2 m -55.97 -52.11 65.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.918 0.389 . . . . 0.0 110.895 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 94' ' ' CYS . 47.1 tttt -36.05 -60.3 0.56 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -54.38 -54.87 29.69 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.432 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.4 ' CE1' ' HD3' ' A' ' 129' ' ' ARG . 9.3 t80 -41.24 -51.96 3.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.875 0.369 . . . . 0.0 110.889 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -53.98 -68.75 0.15 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.847 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.449 ' NH1' ' O ' ' A' ' 143' ' ' ILE . 8.1 tpt180 -39.24 -50.36 1.95 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 35.4 ttm180 -59.46 -61.37 2.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.873 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 24.6 m -42.36 -25.62 0.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.182 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.687 HG21 HD11 ' A' ' 143' ' ' ILE . 26.1 mm -86.25 -65.51 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.14 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.448 ' HG3' ' N ' ' A' ' 104' ' ' MET . 15.2 ptt180 -48.82 -44.13 39.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.867 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' MET . . . . . 0.448 ' N ' ' HG3' ' A' ' 103' ' ' ARG . 41.6 mtp -84.57 -6.64 59.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 56.6 mttt 45.97 41.07 7.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 13.6 mt -70.93 125.69 27.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 24.1 pm0 -105.44 164.22 12.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -139.35 176.0 9.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.958 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -86.86 136.77 32.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.411 ' HA ' ' CZ ' ' A' ' 127' ' ' TYR . 13.2 tppt? -45.3 150.35 0.44 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 17.0 t -143.44 118.53 10.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.849 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 113' ' ' ARG . 41.6 mt-10 -92.39 -40.87 10.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.84 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 112' ' ' GLU . 26.5 mmm-85 -37.01 -36.32 0.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.854 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 115' ' ' CYS . 1.1 t 71.57 37.54 1.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.753 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' CYS . . . . . 0.446 ' N ' ' SG ' ' A' ' 128' ' ' CYS . 7.0 m -34.7 148.11 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 48.5 mttt -104.86 120.63 41.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 18.0 mm -72.8 101.64 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.079 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.407 ' O ' ' N ' ' A' ' 122' ' ' ARG . 25.9 tp60 -96.66 142.98 28.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.935 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.404 ' O ' ' NH1' ' A' ' 122' ' ' ARG . 9.8 ptpp? -55.68 -45.1 77.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.27 -50.6 73.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 48.9 m-20 -127.39 66.12 1.31 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.893 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' ARG . . . . . 0.407 ' N ' ' O ' ' A' ' 118' ' ' GLN . 9.7 ptt-85 -74.61 -26.19 59.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.908 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -83.49 65.65 8.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.849 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 30.3 mttt -118.68 -64.14 1.32 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 19.2 t -114.63 139.34 49.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -87.79 -41.47 13.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.953 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' TYR . . . . . 0.411 ' CZ ' ' HA ' ' A' ' 110' ' ' LYS . 17.9 t80 -58.18 -68.37 0.26 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.96 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' CYS . . . . . 0.446 ' SG ' ' N ' ' A' ' 115' ' ' CYS . 89.0 m -47.54 -33.85 6.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.951 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.4 ' HD3' ' CE1' ' A' ' 97' ' ' PHE . 42.7 ttt85 -61.66 -53.18 59.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.923 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -67.65 -45.05 76.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 26.3 mm100 -53.35 -47.09 69.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 34.8 tttt -54.79 -45.67 74.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' CYS . . . . . 0.401 ' HA ' HD12 ' A' ' 136' ' ' LEU . 47.3 m -55.59 -38.85 69.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.894 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 20.8 mt -69.14 -46.14 68.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.959 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -58.07 -26.19 62.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.069 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.699 HD11 ' O ' ' A' ' 75' ' ' ARG . 80.3 mt -73.13 -15.94 61.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 97.15 2.08 59.32 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.506 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 17.4 mtt -41.38 115.46 0.62 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.796 0.332 . . . . 0.0 110.842 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 40.0 p -81.33 74.81 8.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.815 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' HIS . . . . . 0.525 ' CG ' ' N ' ' A' ' 141' ' ' ASN . 26.2 p80 -49.36 -51.84 32.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.866 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 141' ' ' ASN . . . . . 0.525 ' N ' ' CG ' ' A' ' 140' ' ' HIS . 1.1 p-10 -38.28 -27.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 142' ' ' ALA . . . . . 0.482 ' N ' ' O ' ' A' ' 140' ' ' HIS . . . -81.63 42.31 0.68 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.145 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 143' ' ' ILE . . . . . 0.687 HD11 HG21 ' A' ' 102' ' ' ILE . 43.6 mm -58.85 -56.74 14.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 4.0 ptt180 -141.34 -175.97 4.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 145' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -113.05 132.98 55.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 95.05 -153.34 20.79 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.485 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 1.8 t -44.95 155.88 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.941 0.401 . . . . 0.0 110.878 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -160.55 96.27 0.15 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.519 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 107.75 1.93 Allowed 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 122.732 2.288 . . . . 0.0 112.308 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 14.8 t -104.58 146.65 28.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.836 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 37.7 m -151.03 127.97 11.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.876 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.502 -179.995 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.516 -0.233 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 59.9 p -56.08 107.55 0.37 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.858 0.361 . . . . 0.0 110.846 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.8 m -80.86 128.82 34.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.853 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -172.22 89.34 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.461 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 28.2 m -110.15 -45.45 3.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.839 0.352 . . . . 0.0 110.841 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.4 t -60.76 112.67 2.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.875 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -133.79 -120.81 2.13 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.51 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.534 ' HG3' ' HB3' ' A' ' 81' ' ' ALA . 1.0 OUTLIER -94.06 115.89 28.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.771 0.32 . . . . 0.0 110.844 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.674 ' C ' ' HB2' ' A' ' 81' ' ' ALA . 3.2 mt-10 -132.74 162.9 30.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 48.8 t -79.17 153.81 29.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.845 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 24.6 mmm180 -92.99 -31.99 14.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 70.2 t -70.99 -71.45 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.112 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.422 ' SG ' ' N ' ' A' ' 78' ' ' GLY . 23.7 p -85.73 -47.84 9.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.422 ' N ' ' SG ' ' A' ' 77' ' ' CYS . . . 126.73 -37.31 2.44 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.484 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.46 ' O ' ' C ' ' A' ' 80' ' ' LYS . 19.4 t70 -45.15 153.67 0.19 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.836 0.351 . . . . 0.0 110.873 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 79' ' ' ASP . 18.7 ttpt -33.34 134.61 0.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.923 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.674 ' HB2' ' C ' ' A' ' 73' ' ' GLU . . . -87.83 140.2 29.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.132 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 25.9 t -83.67 -48.22 10.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.841 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -158.96 -152.03 6.31 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.451 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.427 ' CZ ' ' O ' ' A' ' 87' ' ' GLY . 3.9 t80 -121.21 90.35 3.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.888 0.375 . . . . 0.0 110.849 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.424 ' O ' HG12 ' A' ' 88' ' ' VAL . 69.2 m-70 -105.79 141.4 37.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.88 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.41 ' HE2' HD11 ' A' ' 143' ' ' ILE . 17.6 m-85 60.94 33.61 19.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.427 ' O ' ' CZ ' ' A' ' 84' ' ' PHE . . . 60.85 19.31 55.64 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.506 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.424 HG12 ' O ' ' A' ' 85' ' ' HIS . 10.6 p -137.86 142.93 34.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.898 0.38 . . . . 0.0 111.134 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 41.5 m80 -73.87 93.59 2.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.849 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -123.69 165.84 16.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.171 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 19.0 p -101.83 164.74 11.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.871 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -53.94 -55.59 25.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -42.77 -62.52 2.23 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.504 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' CYS . . . . . 0.411 ' O ' ' C ' ' A' ' 95' ' ' LYS . 75.6 m -53.9 -53.19 56.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.919 0.39 . . . . 0.0 110.885 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 94' ' ' CYS . 5.6 ttpm? -37.52 -62.15 0.55 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.938 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -46.53 -44.7 16.72 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.478 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -60.04 -60.46 3.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.836 0.35 . . . . 0.0 110.831 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -50.72 -66.0 0.46 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 37.2 ttp85 -47.27 -46.62 24.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.84 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 23.7 ttp180 -56.17 -48.56 76.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 61.9 m -61.0 -24.45 66.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.142 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 20.7 mm -86.65 -65.51 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.097 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -50.72 -27.88 7.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 41.9 mtp -97.22 -16.67 20.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.873 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 18.7 mtmt 55.38 47.68 20.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 39.0 mt -84.17 143.8 29.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -105.72 160.39 15.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.894 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 57.5 m-85 -136.32 146.54 46.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -58.48 138.83 56.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.842 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 9.3 tppt? -63.16 119.76 10.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.908 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 42.6 t -115.26 108.68 16.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -74.81 -34.56 62.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 26.2 mtp180 -47.7 -21.69 0.41 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 115' ' ' CYS . 3.8 m 48.13 47.76 18.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 -179.775 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' CYS . . . . . 0.424 ' C ' ' O ' ' A' ' 114' ' ' SER . 9.3 m -36.23 144.92 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.896 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -93.87 113.49 25.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 7.9 mm -74.2 95.87 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.126 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -108.68 147.49 31.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 3.9 pttm -47.17 -51.34 18.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -42.98 -55.01 3.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.864 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -133.62 88.51 2.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -89.28 -34.63 16.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 55.4 t30 -82.41 65.53 7.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 19.5 mttm -116.96 -63.83 1.39 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 15.0 t -114.51 138.05 51.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.882 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -81.82 -53.89 5.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' TYR . . . . . 0.478 ' CE1' ' HG3' ' A' ' 131' ' ' GLN . 43.1 t80 -51.62 -65.73 0.51 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.923 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 82.7 m -47.19 -44.31 22.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.901 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -54.23 -48.66 70.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.832 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.499 ' CE2' HD11 ' A' ' 134' ' ' LEU . 51.8 t80 -66.04 -49.04 69.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 131' ' ' GLN . . . . . 0.478 ' HG3' ' CE1' ' A' ' 127' ' ' TYR . 78.2 mm-40 -49.49 -47.19 48.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 27.5 tttp -49.56 -48.52 48.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 87.5 m -53.57 -49.02 68.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.499 HD11 ' CE2' ' A' ' 130' ' ' PHE . 69.1 mt -62.29 -39.01 91.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.879 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -65.4 -40.35 93.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.072 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 70.7 mt -60.0 -25.43 65.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 104.21 22.81 8.45 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.47 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 8.5 mtt -66.67 107.33 2.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.794 0.331 . . . . 0.0 110.868 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 2.9 t -60.49 119.12 7.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.833 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' HIS . . . . . 0.48 ' CG ' ' N ' ' A' ' 141' ' ' ASN . 37.7 p-80 -81.48 -49.2 10.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.877 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 141' ' ' ASN . . . . . 0.48 ' N ' ' CG ' ' A' ' 140' ' ' HIS . 18.4 t-20 -44.87 -48.16 11.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 142' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 141' ' ' ASN . . . -36.45 -47.22 0.6 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.108 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 143' ' ' ILE . . . . . 0.41 HD11 ' HE2' ' A' ' 86' ' ' TYR . 27.5 mt -61.47 107.59 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.155 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 12.3 mmm180 -48.58 145.56 3.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.863 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 145' ' ' PHE . . . . . . . . . . . . . 32.0 p90 -96.2 126.07 41.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 146' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 147' ' ' SER . . . -93.31 -84.34 1.57 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.513 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 147' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 146' ' ' GLY . 89.7 p -34.5 139.95 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.927 0.394 . . . . 0.0 110.832 -179.764 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 166.53 -73.53 0.16 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.514 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 149' ' ' PRO . . . . . 0.453 ' O ' ' C ' ' A' ' 150' ' ' SER . 53.7 Cg_endo -69.79 3.28 2.88 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.683 2.255 . . . . 0.0 112.352 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 150' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 149' ' ' PRO . 4.0 m -34.48 144.37 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 8.6 t -40.99 139.09 0.94 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.469 -179.94 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 36.1 p -66.61 124.59 23.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.909 0.385 . . . . 0.0 110.84 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 83.6 p -107.15 -43.9 4.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.86 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -140.35 -174.18 13.75 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.502 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 84.8 p -61.17 157.62 15.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.868 0.366 . . . . 0.0 110.863 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 7.7 t -39.31 122.93 1.35 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.853 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -74.26 172.47 51.91 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.474 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.422 ' SD ' ' CE1' ' A' ' 89' ' ' HIS . 5.1 ttm -126.54 163.84 22.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.739 0.304 . . . . 0.0 110.896 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -147.8 141.65 25.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.909 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 39.7 t -66.98 138.21 57.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.668 ' O ' HD11 ' A' ' 136' ' ' LEU . 1.5 mmp_? -90.62 29.64 1.28 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.502 HG22 ' CD1' ' A' ' 136' ' ' LEU . 87.0 t -134.85 -39.89 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.136 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 31.3 p -125.66 -46.92 1.71 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.885 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 135.84 -35.0 2.2 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.509 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -50.65 151.5 2.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.9 0.381 . . . . 0.0 110.871 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 10.3 ttmm -39.26 137.5 0.74 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.948 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 82' ' ' SER . . . -74.48 83.65 1.99 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.075 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 81' ' ' ALA . 29.4 t -34.96 -52.08 0.54 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.85 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -156.06 -166.26 15.73 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.483 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.462 ' CE2' ' HA2' ' A' ' 87' ' ' GLY . 26.3 t80 -114.74 88.55 2.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.924 0.392 . . . . 0.0 110.905 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 26.4 m80 -104.73 155.83 18.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.826 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 52.96 26.41 4.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.462 ' HA2' ' CE2' ' A' ' 84' ' ' PHE . . . 63.61 18.08 60.96 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.445 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.545 HG21 ' HB3' ' A' ' 136' ' ' LEU . 7.7 p -135.89 131.05 49.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.857 0.361 . . . . 0.0 111.088 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.422 ' CE1' ' SD ' ' A' ' 72' ' ' MET . 17.5 m-70 -57.17 99.4 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -133.53 167.4 20.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.049 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 16.7 p -100.01 171.91 7.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.841 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 93' ' ' GLY . 11.1 pt-20 -62.77 -51.13 68.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.413 ' N ' ' HG3' ' A' ' 92' ' ' GLU . . . -45.54 -70.46 0.63 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.445 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' CYS . . . . . 0.466 ' O ' ' N ' ' A' ' 97' ' ' PHE . 95.4 m -43.54 -56.53 3.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.915 0.388 . . . . 0.0 110.893 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 94' ' ' CYS . 18.2 ttmt -35.23 -55.74 0.62 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -53.72 -39.41 61.27 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.487 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.466 ' N ' ' O ' ' A' ' 94' ' ' CYS . 8.2 t80 -67.07 -50.61 61.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.918 0.39 . . . . 0.0 110.883 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -57.92 -58.77 6.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.82 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.469 ' HG3' HD12 ' A' ' 143' ' ' ILE . 26.2 ttp180 -55.94 -52.95 62.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 18.0 ttt180 -46.52 -51.7 14.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 99.6 m -57.71 -31.6 66.57 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.134 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 30.6 mm -79.73 -65.63 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -49.53 -34.96 18.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 76.5 mtp -89.03 -19.0 26.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 17.4 mmtp 58.72 37.59 25.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 39.9 mt -72.11 139.03 48.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.938 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -102.35 162.97 12.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -137.62 175.26 9.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.935 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -101.66 135.24 43.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.93 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 35.3 ttmt -50.05 115.5 1.44 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 50.0 t -105.23 94.44 5.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 113' ' ' ARG . 36.3 mt-10 -62.44 -44.72 95.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 112' ' ' GLU . 0.1 OUTLIER -35.79 -45.31 0.38 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 -179.937 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.7 t 73.0 46.56 0.23 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' CYS . . . . . 0.451 ' N ' ' SG ' ' A' ' 128' ' ' CYS . 8.2 m -39.56 142.61 0.28 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.845 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 15.1 ttmt -91.15 110.27 21.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.872 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 14.0 mm -67.4 121.61 16.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -121.97 168.16 12.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 3.9 pttp -74.5 -23.13 58.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.939 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -78.19 -49.93 12.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -124.21 74.5 1.31 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 30.3 ptt180 -80.96 -35.92 31.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 5.7 p-10 -85.08 44.95 1.12 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 16.5 tptp -95.15 -59.73 1.83 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.901 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 17.3 t -117.34 129.11 55.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.937 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 19.8 mp0 -75.93 -44.42 40.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -59.56 -66.91 0.44 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' CYS . . . . . 0.451 ' SG ' ' N ' ' A' ' 115' ' ' CYS . 67.7 m -44.59 -58.15 3.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.873 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.421 ' HG2' ' CE1' ' A' ' 97' ' ' PHE . 3.0 tpp85 -41.03 -57.28 2.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.906 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -55.94 -54.01 49.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.871 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' GLN . . . . . 0.441 ' OE1' HD12 ' A' ' 134' ' ' LEU . 10.2 mm100 -42.13 -49.19 4.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 44.6 tttt -48.11 -48.1 34.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' CYS . . . . . 0.428 ' O ' ' N ' ' A' ' 136' ' ' LEU . 81.3 m -54.57 -60.37 3.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.837 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.441 HD12 ' OE1' ' A' ' 131' ' ' GLN . 98.7 mt -42.23 -36.74 1.29 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -74.88 -36.43 62.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.073 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.668 HD11 ' O ' ' A' ' 75' ' ' ARG . 37.9 mt -61.19 -24.24 66.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 92.98 27.59 13.55 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.475 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 28.3 mtt -63.1 172.19 1.93 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.781 0.324 . . . . 0.0 110.898 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 4.1 m -125.86 102.08 7.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 5.0 p80 -71.71 -45.01 63.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.846 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -53.62 -41.81 67.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -39.37 -40.3 0.78 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.132 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 143' ' ' ILE . . . . . 0.469 HD12 ' HG3' ' A' ' 99' ' ' ARG . 32.9 mm -45.03 113.19 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 18.6 ptt180 -136.41 107.84 6.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 145' ' ' PHE . . . . . 0.473 ' O ' ' CD2' ' A' ' 145' ' ' PHE . 28.4 p90 -87.0 36.92 0.74 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 66.33 -134.29 33.53 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.492 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 147' ' ' SER . . . . . 0.452 ' O ' ' C ' ' A' ' 148' ' ' GLY . 2.5 m 56.41 41.21 29.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.929 0.395 . . . . 0.0 110.835 -179.744 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 148' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 147' ' ' SER . . . -34.07 106.51 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.456 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -7.23 20.52 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.724 2.283 . . . . 0.0 112.369 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 3.6 m -53.08 152.28 4.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 66.2 m -136.3 161.77 34.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.907 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.542 179.963 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.527 -0.229 . . . . 0.0 112.527 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.1 t -83.51 42.16 0.82 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.913 0.387 . . . . 0.0 110.856 -179.744 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.4 t -158.1 149.27 21.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.909 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 69' ' ' SER . . . -85.94 124.72 6.99 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.475 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 68' ' ' GLY . 50.4 m -35.13 -53.0 0.6 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.847 0.356 . . . . 0.0 110.845 -179.731 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.6 m 52.99 42.7 32.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.84 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -150.8 159.9 28.36 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.467 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.405 ' HG3' ' NE2' ' A' ' 89' ' ' HIS . 36.2 mmt -80.53 147.4 30.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.725 0.298 . . . . 0.0 110.862 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -116.53 143.23 45.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 44.6 t -54.28 128.87 33.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.918 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.62 ' O ' HD11 ' A' ' 136' ' ' LEU . 24.2 mmt180 -86.9 24.08 1.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.832 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 96.8 t -125.17 -47.11 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.138 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 26.8 p -110.56 -48.12 3.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.895 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 132.35 -34.69 2.47 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.503 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -48.92 176.6 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.835 0.35 . . . . 0.0 110.898 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 14.8 tptm -73.25 119.25 17.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -55.76 164.25 1.17 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.077 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 31.0 t -120.0 -46.72 2.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.805 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -150.54 148.82 20.42 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.549 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -76.65 87.99 3.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.878 0.37 . . . . 0.0 110.869 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 69.3 m-70 -107.08 153.61 22.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.846 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.486 ' HB2' HG12 ' A' ' 88' ' ' VAL . 22.4 m-85 51.73 32.15 9.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.878 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 57.92 20.93 43.08 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.486 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.755 HG11 ' HG2' ' A' ' 138' ' ' MET . 6.2 p -138.0 135.68 45.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.84 0.353 . . . . 0.0 111.12 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.405 ' NE2' ' HG3' ' A' ' 72' ' ' MET . 21.7 m80 -65.63 92.37 0.14 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -119.02 167.72 11.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.045 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 20.2 p -101.67 179.21 4.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -64.16 -49.9 70.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -53.5 -72.72 0.49 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.519 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 90.3 m -40.53 -53.63 2.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.902 0.382 . . . . 0.0 110.9 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 57.5 tttp -38.44 -59.28 0.92 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -52.25 -43.91 57.41 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.457 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.555 ' CZ ' ' HD3' ' A' ' 129' ' ' ARG . 83.4 t80 -56.1 -63.21 1.26 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.831 0.348 . . . . 0.0 110.86 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -45.99 -65.8 0.49 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.413 ' O ' ' N ' ' A' ' 102' ' ' ILE . 35.1 ttt-85 -47.37 -60.35 2.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.822 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 39.4 ttm180 -39.32 -54.39 1.86 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.514 HG23 ' HB2' ' A' ' 106' ' ' LEU . 42.9 m -55.28 -36.95 66.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.135 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.434 HG21 HG13 ' A' ' 143' ' ' ILE . 44.9 mm -70.61 -63.69 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.092 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -54.94 -31.12 60.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 58.8 mtp -93.69 -18.6 21.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' A' ' 101' ' ' THR . 20.5 mmmt 56.97 47.26 17.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.514 ' HB2' HG23 ' A' ' 101' ' ' THR . 28.5 mt -73.44 136.22 44.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.933 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -100.36 153.93 18.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.404 ' CE1' ' HB3' ' A' ' 126' ' ' GLN . 22.2 m-85 -135.58 178.28 7.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -111.3 139.58 46.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.921 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 1.3 ttmp? -54.89 105.08 0.14 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 12.3 t -92.43 97.16 10.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 114' ' ' SER . 20.6 mm-40 -63.84 -41.99 97.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 52.2 mtt180 -39.37 -27.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.848 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 112' ' ' GLU . 4.0 m 54.75 45.99 25.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 -179.814 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 5.6 m -42.16 147.16 0.25 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.861 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -91.76 111.72 23.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 50.0 mm -67.16 87.67 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.148 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -84.81 152.7 23.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.944 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.462 ' HG3' ' N ' ' A' ' 120' ' ' LYS . 12.0 pttm -63.29 -40.11 96.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.462 ' N ' ' HG3' ' A' ' 119' ' ' LYS . 5.4 mtpm? -55.37 -53.01 61.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -119.6 88.28 2.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.87 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 92.8 mtm-85 -79.38 -40.64 29.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.842 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 74.2 m-80 -81.97 44.31 0.83 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 26.8 tptt -90.24 -57.73 2.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 11.9 t -118.39 142.9 47.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.878 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.404 ' HB3' ' CE1' ' A' ' 108' ' ' TYR . 46.9 mt-30 -86.71 -47.06 9.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 127' ' ' TYR . . . . . 0.467 ' CE2' ' HG3' ' A' ' 131' ' ' GLN . 55.6 t80 -66.78 -67.9 0.42 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.953 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 95.8 m -42.01 -42.74 2.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.883 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.555 ' HD3' ' CZ ' ' A' ' 97' ' ' PHE . 58.2 ttt180 -57.02 -63.29 1.26 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.457 ' HE2' HD11 ' A' ' 134' ' ' LEU . 63.0 t80 -55.5 -45.17 77.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 131' ' ' GLN . . . . . 0.467 ' HG3' ' CE2' ' A' ' 127' ' ' TYR . 17.4 mm-40 -48.3 -54.8 12.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 28.2 tttp -46.57 -48.52 19.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.932 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 69.7 m -52.5 -57.73 8.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.457 HD11 ' HE2' ' A' ' 130' ' ' PHE . 83.7 mt -47.46 -45.07 25.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.92 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -55.88 -44.62 78.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.106 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.62 HD11 ' O ' ' A' ' 75' ' ' ARG . 24.0 mt -60.99 -29.87 69.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 99.49 35.07 4.8 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.492 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' MET . . . . . 0.755 ' HG2' HG11 ' A' ' 88' ' ' VAL . 23.4 mtp -66.6 99.09 0.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.772 0.32 . . . . 0.0 110.919 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 19.2 m -44.75 107.18 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.835 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 26.8 p-80 -72.12 -41.54 67.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.846 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 141' ' ' ASN . . . . . 0.408 ' O ' ' C ' ' A' ' 142' ' ' ALA . 31.3 t30 -57.89 -39.24 77.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 142' ' ' ALA . . . . . 0.445 ' O ' ' C ' ' A' ' 143' ' ' ILE . . . -37.45 -48.4 0.95 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.115 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 143' ' ' ILE . . . . . 0.445 ' C ' ' O ' ' A' ' 142' ' ' ALA . 51.7 mm -34.02 110.39 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.113 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 15.6 mtp180 -68.58 110.44 4.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.86 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 145' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -54.26 -56.39 18.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 109.01 77.65 1.0 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.49 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 37.8 p -71.77 154.23 41.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.891 0.377 . . . . 0.0 110.855 -179.71 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 96.85 -140.26 14.95 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.51 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 88.86 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.714 2.276 . . . . 0.0 112.332 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 9.7 m -93.61 164.29 13.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.833 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 50.7 m -97.6 112.17 24.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.856 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.379 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.512 -179.999 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 62.5 p -143.53 175.22 10.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.859 0.362 . . . . 0.0 110.854 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 99.5 p -109.48 123.43 49.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -136.59 -129.45 2.8 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.507 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.3 m -100.02 40.34 1.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.874 0.369 . . . . 0.0 110.83 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 36.5 m -60.92 -57.29 13.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -92.4 162.34 26.87 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.498 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.52 ' HG3' ' HB3' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -71.03 157.07 38.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.738 0.304 . . . . 0.0 110.837 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -150.13 145.24 26.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.528 ' O ' ' N ' ' A' ' 78' ' ' GLY . 22.3 t -72.7 110.07 6.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 35.4 mtt-85 -49.32 -35.15 17.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.423 ' HB ' ' SG ' ' A' ' 74' ' ' CYS . 5.2 t -61.84 -71.67 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.15 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.832 ' HA ' HG22 ' A' ' 117' ' ' ILE . 28.7 p -98.7 -45.28 6.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.836 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.528 ' N ' ' O ' ' A' ' 74' ' ' CYS . . . 125.43 -32.37 3.93 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.5 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -44.32 159.61 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.898 0.38 . . . . 0.0 110.861 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -42.45 127.66 3.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.52 ' HB3' ' HG3' ' A' ' 72' ' ' MET . . . -75.01 152.52 38.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.112 179.799 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 19.2 m -104.39 -43.89 5.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -165.45 170.22 40.25 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.446 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.448 ' CE2' ' HA2' ' A' ' 87' ' ' GLY . 6.5 t80 -87.71 89.18 7.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.905 0.383 . . . . 0.0 110.884 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 65.8 m-70 -110.45 132.78 53.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 69.16 29.64 4.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.95 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.448 ' HA2' ' CE2' ' A' ' 84' ' ' PHE . . . 64.05 12.66 50.22 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.525 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 7.2 p -134.32 140.21 46.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.866 0.365 . . . . 0.0 111.119 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 9.1 m80 -71.61 100.21 2.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -120.38 161.03 21.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.107 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 16.4 p -101.2 155.81 17.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -47.46 -46.13 26.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.912 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -53.5 -42.48 65.91 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.458 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 60.9 m -79.1 -57.29 3.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.879 0.371 . . . . 0.0 110.849 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -40.19 -53.67 2.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -57.0 -37.91 82.11 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.494 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.475 ' CD2' ' HG2' ' A' ' 129' ' ' ARG . 4.1 t80 -65.01 -63.25 1.15 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.915 0.388 . . . . 0.0 110.931 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.45 ' N ' ' CD2' ' A' ' 97' ' ' PHE . 42.8 t80 -49.06 -56.93 7.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.889 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 27.5 ttm180 -53.37 -53.48 50.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 30.0 ttp180 -50.96 -46.14 61.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.825 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 24.4 m -61.93 -29.13 70.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.14 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.782 HG21 HG13 ' A' ' 143' ' ' ILE . 30.8 mm -79.54 -62.9 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.121 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 1.6 ptp180 -54.0 -25.12 19.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 36.6 mtp -102.29 -9.13 20.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 56.8 mttp 47.49 45.04 17.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 37.1 mt -79.96 176.78 9.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.937 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -146.29 155.18 42.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.942 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.417 ' CE2' ' HB3' ' A' ' 126' ' ' GLN . 46.4 m-85 -132.52 134.76 45.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -47.52 131.92 13.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 22.9 ttpt -51.86 115.59 1.74 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 42.8 t -94.78 96.8 9.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -62.43 -31.91 72.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 6.2 mpt_? -52.84 -21.37 4.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.8 m 46.3 47.69 13.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.839 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' CYS . . . . . 0.433 ' N ' ' SG ' ' A' ' 128' ' ' CYS . 17.7 m -42.45 157.2 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 17.0 mtpp -103.78 113.12 26.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.935 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.832 HG22 ' HA ' ' A' ' 77' ' ' CYS . 23.6 mm -63.26 93.6 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.107 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -101.81 144.81 30.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 26.0 ttpt -54.59 -43.13 71.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.476 ' O ' ' CG ' ' A' ' 121' ' ' ASN . 0.0 OUTLIER -58.38 -37.96 76.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 179.901 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 121' ' ' ASN . . . . . 0.476 ' CG ' ' O ' ' A' ' 120' ' ' LYS . 13.6 m120 -170.82 121.39 0.57 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 6.3 mpt_? -72.14 1.6 7.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' ASN . . . . . 0.424 ' O ' ' C ' ' A' ' 124' ' ' LYS . 7.8 t-20 75.08 36.09 0.56 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 123' ' ' ASN . 7.5 mtmp? 35.35 37.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 2.7 t -109.57 126.58 53.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.417 ' HB3' ' CE2' ' A' ' 108' ' ' TYR . 2.9 mp0 -85.92 -43.98 12.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 127' ' ' TYR . . . . . 0.463 ' CE2' ' HG3' ' A' ' 131' ' ' GLN . 64.6 t80 -58.57 -66.82 0.43 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 128' ' ' CYS . . . . . 0.433 ' SG ' ' N ' ' A' ' 115' ' ' CYS . 61.6 m -43.59 -32.74 1.0 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.475 ' HG2' ' CD2' ' A' ' 97' ' ' PHE . 7.7 tpp85 -66.49 -44.34 82.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.851 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -68.91 -44.08 73.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' GLN . . . . . 0.463 ' HG3' ' CE2' ' A' ' 127' ' ' TYR . 53.8 mm-40 -50.8 -55.46 16.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 45.7 tttt -52.46 -56.94 11.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.917 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 51.7 m -42.8 -42.63 3.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 98.4 mt -67.48 -42.58 82.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.949 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -65.12 -35.95 82.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.088 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 72.4 mt -60.6 -27.25 67.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 109.3 6.69 29.23 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.442 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 9.3 mtt -53.14 115.32 1.82 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.823 0.344 . . . . 0.0 110.894 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 44.0 p -76.73 121.7 23.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.87 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' HIS . . . . . 0.439 ' CG ' ' N ' ' A' ' 141' ' ' ASN . 51.2 p-80 -69.11 -47.46 65.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 141' ' ' ASN . . . . . 0.439 ' N ' ' CG ' ' A' ' 140' ' ' HIS . 19.3 t-20 -44.54 -37.23 3.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 142' ' ' ALA . . . . . 0.451 ' O ' ' C ' ' A' ' 143' ' ' ILE . . . -44.76 -43.03 8.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.139 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 143' ' ' ILE . . . . . 0.782 HG13 HG21 ' A' ' 102' ' ' ILE . 21.6 mm -33.8 108.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.12 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 14.5 mmt180 -133.05 175.17 9.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.866 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 145' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 50.82 43.89 28.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -60.98 -63.13 5.2 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.482 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 35.9 t -153.38 147.7 25.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.884 0.373 . . . . 0.0 110.904 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 148' ' ' GLY . . . . . 0.41 ' HA2' ' HD2' ' A' ' 149' ' ' PRO . . . 151.97 95.47 0.12 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.483 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 149' ' ' PRO . . . . . 0.41 ' HD2' ' HA2' ' A' ' 148' ' ' GLY . 53.4 Cg_endo -69.77 160.65 48.93 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.648 2.232 . . . . 0.0 112.324 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 2.2 t -153.41 132.31 12.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 3.6 m -73.08 130.89 41.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.891 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.503 -179.975 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.9 m -51.97 106.93 0.16 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.893 0.378 . . . . 0.0 110.84 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 73.3 m -91.51 42.54 1.11 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.902 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 154.31 110.74 0.39 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.692 -0.765 . . . . 0.0 112.446 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 57.9 m -134.43 113.38 11.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.893 0.378 . . . . 0.0 110.839 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 61.7 p -45.43 120.19 2.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.859 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -101.26 -55.95 0.89 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.477 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -56.88 124.07 17.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.777 0.323 . . . . 0.0 110.866 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.559 ' C ' ' HB2' ' A' ' 81' ' ' ALA . 13.2 pt-20 -135.02 152.24 51.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.931 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 42.2 t -58.98 150.89 23.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.927 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.483 ' HB3' HD22 ' A' ' 136' ' ' LEU . 24.3 mmm180 -100.43 -29.41 12.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 36.2 t -71.38 -62.71 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.12 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 14.8 p -97.97 -40.87 8.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.903 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 79' ' ' ASP . . . 122.24 -42.18 1.69 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.441 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.441 ' O ' ' C ' ' A' ' 80' ' ' LYS . 9.5 t70 -36.8 152.04 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.856 0.36 . . . . 0.0 110.843 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 79' ' ' ASP . 13.2 ptmt -33.99 141.87 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.559 ' HB2' ' C ' ' A' ' 73' ' ' GLU . . . -91.94 122.14 34.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.132 179.82 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.0 t -73.66 -43.73 58.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 -179.763 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -158.67 -165.55 16.06 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.51 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -117.24 90.46 3.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.839 0.352 . . . . 0.0 110.896 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 56.3 m-70 -107.65 144.42 34.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 61.2 29.74 18.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.954 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 59.76 19.77 50.44 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.483 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.555 HG21 ' HB3' ' A' ' 136' ' ' LEU . 7.7 p -139.8 129.75 29.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.893 0.378 . . . . 0.0 111.113 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 17.7 m80 -58.24 102.43 0.11 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -131.41 153.09 50.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.128 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 17.6 p -92.29 172.98 8.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.845 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -61.21 -52.48 64.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -46.23 -69.58 0.81 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.445 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' CYS . . . . . 0.417 ' O ' ' C ' ' A' ' 95' ' ' LYS . 93.6 m -47.41 -55.5 8.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.895 0.378 . . . . 0.0 110.886 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 94' ' ' CYS . 6.0 ttpm? -36.92 -59.53 0.69 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -44.02 -44.98 7.59 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.471 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.498 ' CE2' ' HG2' ' A' ' 129' ' ' ARG . 62.3 t80 -61.3 -66.41 0.54 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.932 0.396 . . . . 0.0 110.927 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -48.26 -61.47 1.97 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.936 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.551 ' HG3' HD13 ' A' ' 143' ' ' ILE . 28.0 ttp180 -43.26 -58.94 2.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.853 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 18.9 ttm180 -46.69 -41.75 15.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.472 ' HA ' HD12 ' A' ' 106' ' ' LEU . 26.6 m -67.35 -25.62 66.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.152 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 21.6 mm -83.14 -60.83 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.119 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.402 ' NH1' ' HG3' ' A' ' 104' ' ' MET . 7.3 ptm180 -49.77 -42.82 47.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' MET . . . . . 0.459 ' O ' ' C ' ' A' ' 105' ' ' LYS . 25.5 mmm -99.78 11.41 39.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.459 ' C ' ' O ' ' A' ' 104' ' ' MET . 44.7 mmtt 33.79 45.28 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.472 HD12 ' HA ' ' A' ' 101' ' ' THR . 13.1 mt -64.33 126.03 26.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -100.04 158.1 16.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -141.18 175.23 9.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.937 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -96.81 130.99 43.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.517 ' HA ' ' CZ ' ' A' ' 127' ' ' TYR . 63.8 tttt -46.42 133.0 10.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 48.0 t -112.25 102.92 11.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 113' ' ' ARG . 37.2 mt-10 -63.67 -43.95 95.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.917 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.435 ' C ' ' O ' ' A' ' 112' ' ' GLU . 48.7 mtp180 -35.24 -35.57 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.861 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.416 ' N ' ' O ' ' A' ' 112' ' ' GLU . 9.4 t 62.84 45.9 5.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.815 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 4.6 m -47.18 159.28 0.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.839 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 11.9 ptpt -113.21 116.68 30.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.866 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 8.7 mm -74.4 117.5 18.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.195 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 37.3 mm-40 -123.48 159.1 29.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.873 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.449 ' HG3' ' N ' ' A' ' 120' ' ' LYS . 10.6 ptpp? -56.45 -50.38 71.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.449 ' N ' ' HG3' ' A' ' 119' ' ' LYS . 34.0 mmtp -47.81 -54.98 10.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.855 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -124.3 90.38 3.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.842 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 54.7 mtm180 -80.92 -44.63 17.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -80.14 52.34 1.53 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 5.0 mmmm -89.57 -60.12 2.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.934 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 40.2 t -116.97 149.2 40.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -88.28 -40.76 13.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.917 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' TYR . . . . . 0.517 ' CZ ' ' HA ' ' A' ' 110' ' ' LYS . 33.1 t80 -77.36 -69.94 0.5 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.947 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 128' ' ' CYS . . . . . 0.409 ' C ' ' O ' ' A' ' 127' ' ' TYR . 90.0 m -36.56 -44.76 0.47 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.886 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.498 ' HG2' ' CE2' ' A' ' 97' ' ' PHE . 40.5 ttt85 -52.29 -57.88 8.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.852 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -57.91 -47.13 83.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 25.0 mm-40 -49.57 -55.61 12.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.942 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 20.0 tttp -41.6 -54.34 3.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.948 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 36.1 m -46.84 -58.65 3.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 66.0 mt -49.95 -44.9 50.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -67.99 -32.22 72.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.089 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.555 ' HB3' HG21 ' A' ' 88' ' ' VAL . 25.8 mt -65.94 -27.81 68.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.947 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 116.63 22.97 4.19 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.451 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 15.7 mtt -75.36 177.02 6.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.807 0.337 . . . . 0.0 110.828 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 3.1 m -156.56 171.56 20.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 21.1 p80 -117.58 -174.91 2.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 141' ' ' ASN . . . . . 0.442 ' O ' ' CG ' ' A' ' 141' ' ' ASN . 28.6 t30 51.9 34.05 12.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -124.01 -35.92 2.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.139 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 143' ' ' ILE . . . . . 0.551 HD13 ' HG3' ' A' ' 99' ' ' ARG . 18.5 mt -42.96 123.41 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.155 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 10.4 tpp180 -92.55 131.48 37.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 145' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -148.92 142.06 24.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -46.86 -69.81 0.8 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.489 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 23.0 t -91.95 158.34 16.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.846 0.355 . . . . 0.0 110.882 -179.716 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 148' ' ' GLY . . . . . 0.471 ' C ' ' H ' ' A' ' 150' ' ' SER . . . -102.94 -72.44 0.92 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.491 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 18.79 0.19 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.654 2.236 . . . . 0.0 112.332 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 150' ' ' SER . . . . . 0.471 ' H ' ' C ' ' A' ' 148' ' ' GLY . 27.9 t -75.31 55.4 0.77 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.861 -179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 66.9 p -175.56 114.0 0.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.853 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.509 179.986 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.456 -0.257 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 44.4 t -98.94 131.59 44.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.863 0.363 . . . . 0.0 110.857 -179.732 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 31.7 m -64.16 112.03 2.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.851 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 47.08 82.35 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.473 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 87.5 p -78.67 46.33 0.65 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.906 0.384 . . . . 0.0 110.864 -179.719 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.8 m -58.12 -44.97 88.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.884 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 69.45 -131.66 24.53 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.444 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 2.5 mpp? -119.03 117.8 29.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.712 0.291 . . . . 0.0 110.894 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.401 ' C ' ' HB2' ' A' ' 81' ' ' ALA . 21.0 mt-10 -103.24 169.2 8.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.889 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 47.2 t -79.68 130.04 35.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.888 ' O ' HD11 ' A' ' 136' ' ' LEU . 32.0 mmt180 -84.72 27.13 0.76 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.834 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.516 HG22 ' CD1' ' A' ' 136' ' ' LEU . 59.2 t -131.35 -44.23 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.144 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 29.0 p -117.29 -47.56 2.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 131.21 -37.07 2.14 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.501 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -47.71 154.26 0.5 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.826 0.346 . . . . 0.0 110.916 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -44.97 127.85 6.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.401 ' HB2' ' C ' ' A' ' 73' ' ' GLU . . . -68.89 126.58 30.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 179.803 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.9 m -75.2 -49.58 18.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -151.42 -154.6 6.62 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.455 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -127.01 92.82 3.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.889 0.376 . . . . 0.0 110.89 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 60.3 m-70 -111.17 156.47 21.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.864 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.418 ' CE2' ' CD2' ' A' ' 98' ' ' PHE . 10.8 m-85 50.58 27.41 2.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.85 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 59.99 26.53 63.36 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.482 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.795 HG21 ' HB3' ' A' ' 136' ' ' LEU . 9.9 p -142.41 123.98 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.848 0.356 . . . . 0.0 111.154 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 12.8 m80 -52.76 90.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.837 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.412 ' N ' ' O ' ' A' ' 88' ' ' VAL . . . -120.6 169.03 10.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.095 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 15.4 p -105.23 172.15 6.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.854 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -59.45 -53.81 53.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.89 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -43.78 -63.55 2.19 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.513 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' CYS . . . . . 0.433 ' O ' ' C ' ' A' ' 95' ' ' LYS . 73.3 m -57.95 -53.83 53.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.953 0.406 . . . . 0.0 110.917 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 94' ' ' CYS . 0.6 OUTLIER -35.58 -58.24 0.6 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.874 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -57.12 -42.24 93.07 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.488 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.585 ' CZ ' ' HD3' ' A' ' 129' ' ' ARG . 47.1 t80 -56.15 -57.13 13.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.913 0.387 . . . . 0.0 110.895 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.418 ' CD2' ' CE2' ' A' ' 86' ' ' TYR . 74.5 t80 -49.74 -61.44 2.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.895 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 20.7 ttp180 -53.06 -50.91 63.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.843 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 22.5 ttp180 -50.61 -42.56 56.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.602 HG21 ' CD1' ' A' ' 130' ' ' PHE . 72.8 m -64.82 -34.83 79.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.14 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.541 HG21 ' ND1' ' A' ' 140' ' ' HIS . 28.3 mm -74.78 -66.01 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.094 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.442 ' HG3' ' N ' ' A' ' 104' ' ' MET . 0.4 OUTLIER -40.54 -38.2 0.82 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.876 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 104' ' ' MET . . . . . 0.677 ' HE2' HD11 ' A' ' 106' ' ' LEU . 5.8 mtm -91.77 -21.1 20.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 102' ' ' ILE . 7.4 mmmm 62.05 48.17 5.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.677 HD11 ' HE2' ' A' ' 104' ' ' MET . 14.4 mt -75.48 146.54 40.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -120.47 149.85 41.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.89 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -137.41 157.92 45.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.945 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -69.87 167.65 16.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.846 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 11.4 tppt? -82.77 111.64 18.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.899 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 23.0 t -97.5 92.92 6.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -61.86 -38.15 87.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 34.5 mtt85 -38.68 -34.53 0.15 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.892 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 33.9 m 61.61 45.71 7.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.755 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 7.6 m -39.69 146.77 0.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 60.8 tttt -95.86 100.81 12.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.894 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 32.9 mm -63.31 97.74 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.178 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 16.9 mm-40 -100.0 -179.34 4.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 43.3 tttm -76.56 -41.94 44.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 74.8 mttt -62.34 -53.04 60.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.961 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -105.61 57.93 0.67 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 17.3 mtm180 -55.24 -53.94 49.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 10.1 p30 -86.9 52.68 2.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 50.3 tttt -84.01 -62.76 1.49 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 48.8 t -116.38 152.36 34.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -87.39 -63.34 1.32 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' TYR . . . . . 0.403 ' O ' ' N ' ' A' ' 130' ' ' PHE . 53.9 t80 -54.37 -67.15 0.29 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.961 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 20.7 m -38.14 -43.62 0.77 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.851 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.585 ' HD3' ' CZ ' ' A' ' 97' ' ' PHE . 22.8 ttt180 -61.74 -46.11 91.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.776 ' CE2' HD11 ' A' ' 134' ' ' LEU . 81.7 t80 -67.24 -43.2 82.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.947 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -55.62 -50.0 71.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.9 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 61.9 tttt -47.52 -46.06 27.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 9.9 m -57.4 -48.05 80.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.776 HD11 ' CE2' ' A' ' 130' ' ' PHE . 19.7 mt -61.76 -48.73 79.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.92 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -57.89 -41.09 81.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.089 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.888 HD11 ' O ' ' A' ' 75' ' ' ARG . 59.2 mt -57.67 -30.1 65.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 111.45 31.38 2.81 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.484 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 9.1 mtt -74.49 123.8 25.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.747 0.308 . . . . 0.0 110.91 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 27.3 m -87.8 129.8 35.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' HIS . . . . . 0.541 ' ND1' HG21 ' A' ' 102' ' ' ILE . 0.1 OUTLIER -82.4 -45.35 14.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -65.88 -26.79 67.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -82.06 38.53 0.53 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.075 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 143' ' ' ILE . . . . . . . . . . . . . 77.4 mt -115.86 81.95 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.116 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 62.8 mmt-85 -119.78 -45.31 2.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 145' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -60.39 124.11 19.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.854 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 175.37 110.91 0.27 Allowed Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.465 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 67.6 m -107.7 88.67 2.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.891 0.377 . . . . 0.0 110.885 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -164.92 99.3 0.16 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.496 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.85 86.64 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.639 2.226 . . . . 0.0 112.348 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 6.9 t -110.72 134.29 52.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 31.3 t -140.66 155.24 46.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.829 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.468 179.995 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.509 -0.237 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.3 m -108.52 -46.09 3.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.924 0.392 . . . . 0.0 110.854 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 10.6 t -89.99 167.28 12.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 117.93 45.14 0.51 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.508 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 34.9 p -96.17 90.44 5.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.847 0.356 . . . . 0.0 110.867 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 87.9 p -69.24 142.76 54.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -163.46 -46.01 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.461 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.448 ' SD ' ' CD2' ' A' ' 89' ' ' HIS . 19.3 tpp -130.26 84.88 2.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.749 0.309 . . . . 0.0 110.867 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -147.0 133.62 19.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 33.7 t -42.86 136.25 2.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 21.5 mmt180 -92.05 7.61 41.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.1 t -108.65 -60.72 2.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.104 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 28.6 p -95.34 -42.13 8.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 125.53 -39.25 2.09 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.476 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -46.96 158.01 0.14 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.834 0.35 . . . . 0.0 110.902 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 18.1 ttpt -40.78 138.31 1.03 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -81.64 107.38 14.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.116 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 13.3 t -52.75 -57.91 8.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -149.31 -153.72 6.13 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.527 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.557 ' CE2' ' HA2' ' A' ' 87' ' ' GLY . 25.7 t80 -123.0 88.3 2.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.824 0.345 . . . . 0.0 110.86 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.589 ' CD2' ' HE3' ' A' ' 95' ' ' LYS . 66.1 m-70 -104.55 151.89 23.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.795 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.41 ' HB2' HG12 ' A' ' 88' ' ' VAL . 8.2 m-85 50.62 31.5 5.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.557 ' HA2' ' CE2' ' A' ' 84' ' ' PHE . . . 57.7 26.75 57.97 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.463 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.636 HG21 ' HB3' ' A' ' 136' ' ' LEU . 10.1 p -141.44 125.75 16.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.871 0.367 . . . . 0.0 111.135 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.448 ' CD2' ' SD ' ' A' ' 72' ' ' MET . 11.2 m80 -55.42 92.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -124.63 167.21 14.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.092 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 16.7 p -100.31 176.23 5.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -64.37 -45.03 89.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -53.19 -72.45 0.53 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.512 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' CYS . . . . . 0.409 ' O ' ' C ' ' A' ' 95' ' ' LYS . 78.3 m -44.22 -51.82 7.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.904 0.383 . . . . 0.0 110.876 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.589 ' HE3' ' CD2' ' A' ' 85' ' ' HIS . 10.0 ttmt -37.23 -54.1 1.04 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.925 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -55.76 -40.05 78.87 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.47 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.404 ' N ' ' O ' ' A' ' 94' ' ' CYS . 51.7 t80 -58.53 -55.99 27.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.861 0.363 . . . . 0.0 110.891 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -53.24 -61.42 2.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.913 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.581 ' NH1' HG21 ' A' ' 143' ' ' ILE . 16.3 tpt180 -49.35 -58.82 4.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.83 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 11.3 ttp180 -42.99 -52.12 5.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.894 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.404 HG23 ' HB2' ' A' ' 106' ' ' LEU . 36.3 m -58.11 -34.48 70.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.087 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 48.0 mm -74.71 -64.48 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.136 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 16.8 ptt180 -51.74 -29.83 20.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.839 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 30.6 mtp -93.27 -14.59 26.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 37.1 mttm 55.23 45.11 26.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.404 ' HB2' HG23 ' A' ' 101' ' ' THR . 51.0 mt -79.6 140.22 37.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.584 ' O ' ' CD1' ' A' ' 108' ' ' TYR . 14.3 mm-40 -111.47 168.65 9.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.584 ' CD1' ' O ' ' A' ' 107' ' ' GLU . 38.1 m-85 -151.38 165.37 34.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -91.09 138.23 31.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.908 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.46 ' HA ' ' CE1' ' A' ' 127' ' ' TYR . 13.1 ttmt -51.75 110.65 0.49 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 15.3 t -94.97 95.24 8.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.858 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 113' ' ' ARG . 46.3 mt-10 -52.66 -48.56 66.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.435 ' C ' ' O ' ' A' ' 112' ' ' GLU . 3.5 mmp_? -34.85 -36.18 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.902 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 115' ' ' CYS . 24.1 p 57.87 43.08 22.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.878 -179.796 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' CYS . . . . . 0.488 ' N ' ' SG ' ' A' ' 128' ' ' CYS . 5.3 m -35.54 152.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.848 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 32.3 mtmt -109.6 108.89 19.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.871 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 33.6 mm -62.22 116.9 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.16 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 3.2 tp-100 -125.55 158.71 33.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.908 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 15.0 tptp -54.43 -52.26 62.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 3.5 ttmm -45.44 -48.29 13.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.922 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 -125.99 81.63 2.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 49.6 mtt180 -65.69 -54.5 26.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -88.79 88.8 7.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 11.4 tppt? -123.04 -63.79 1.23 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 23.3 t -115.54 140.62 49.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.883 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -85.2 -46.41 11.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.932 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' TYR . . . . . 0.46 ' CE1' ' HA ' ' A' ' 110' ' ' LYS . 75.8 t80 -61.17 -59.53 5.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.929 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' CYS . . . . . 0.488 ' SG ' ' N ' ' A' ' 115' ' ' CYS . 99.3 m -52.08 -57.73 8.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.911 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 7.0 tpt180 -39.87 -48.45 2.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.837 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.491 ' HE1' HD11 ' A' ' 134' ' ' LEU . 40.4 t80 -69.32 -56.33 7.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 131' ' ' GLN . . . . . 0.434 ' HA ' HD12 ' A' ' 134' ' ' LEU . 16.5 mm-40 -44.71 -53.0 7.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.93 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 51.6 tttt -43.4 -51.86 6.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.867 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' CYS . . . . . 0.532 ' HA ' HD12 ' A' ' 136' ' ' LEU . 12.1 m -51.34 -52.76 42.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.858 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.491 HD11 ' HE1' ' A' ' 130' ' ' PHE . 47.7 mt -50.07 -49.21 52.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.13 -38.28 88.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.064 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.636 ' HB3' HG21 ' A' ' 88' ' ' VAL . 59.2 mt -58.99 -29.81 67.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.897 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 118.34 29.27 1.97 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.523 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 6.5 mtt -79.88 176.66 9.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.795 0.331 . . . . 0.0 110.875 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 12.9 t -156.94 147.62 21.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 50.0 p-80 -95.87 -35.07 11.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.856 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 42.8 p-10 -85.48 38.0 0.72 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.87 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 142' ' ' ALA . . . . . 0.455 ' O ' ' C ' ' A' ' 143' ' ' ILE . . . -126.16 -44.22 1.76 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.078 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 143' ' ' ILE . . . . . 0.581 HG21 ' NH1' ' A' ' 99' ' ' ARG . 3.8 mp -32.48 110.89 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 23.8 ttm180 -87.76 -47.81 8.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.86 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 145' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -85.88 127.36 34.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 167.11 76.92 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.507 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 74.4 m -95.36 129.04 42.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.854 0.359 . . . . 0.0 110.932 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -99.04 117.81 5.98 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.522 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 167.23 25.08 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.696 2.264 . . . . 0.0 112.331 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 2.7 m -105.35 41.85 1.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 89.7 p -107.75 42.46 1.34 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.814 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.476 -179.962 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.923 0.392 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . 0.416 ' N ' ' HB2' ' A' ' 81' ' ' ALA . 48.4 t -48.46 149.01 1.74 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.836 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 23.4 mmm180 -100.29 -24.02 14.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.891 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 72.1 t -75.0 -59.6 3.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.165 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.414 ' SG ' ' N ' ' A' ' 78' ' ' GLY . 20.1 p -101.46 -45.86 5.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.414 ' N ' ' SG ' ' A' ' 77' ' ' CYS . . . 130.82 -39.57 1.77 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.513 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' ' 80' ' ' LYS . 36.6 t0 -45.06 150.47 0.39 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.884 0.374 . . . . 0.0 110.85 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 79' ' ' ASP . 24.3 mtmt -36.16 133.63 0.46 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.416 ' HB2' ' N ' ' A' ' 74' ' ' CYS . . . -92.47 147.18 23.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.088 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 9.2 t -77.36 -30.62 53.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 156.07 -166.12 32.94 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.454 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.556 ' CZ ' ' HA2' ' A' ' 87' ' ' GLY . 3.4 t80 -66.92 118.05 9.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.888 0.375 . . . . 0.0 110.87 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.477 ' CD2' ' HD3' ' A' ' 95' ' ' LYS . 42.7 m-70 -139.8 110.82 6.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.84 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 63.56 31.4 14.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.937 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.556 ' HA2' ' CZ ' ' A' ' 84' ' ' PHE . . . 88.97 -38.45 3.21 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.489 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 8.9 p -98.56 135.91 31.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.875 0.369 . . . . 0.0 111.122 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 49.0 m80 -73.37 91.48 1.74 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -105.49 163.18 12.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.118 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 22.4 p -92.85 173.32 7.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.854 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -56.01 -50.33 71.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -53.25 -70.35 0.95 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.535 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 83.8 m -47.25 -61.94 1.66 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.937 0.399 . . . . 0.0 110.928 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.477 ' HD3' ' CD2' ' A' ' 85' ' ' HIS . 34.6 ttpt -37.67 -56.4 1.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -47.99 -50.51 21.27 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.469 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.507 ' CG ' ' HD3' ' A' ' 129' ' ' ARG . 78.8 t80 -54.67 -56.06 23.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.863 0.363 . . . . 0.0 110.892 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -48.89 -71.51 0.07 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 30.2 ttm180 -41.05 -49.06 3.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 28.7 ttt-85 -53.28 -51.05 63.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.864 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 85.1 m -57.47 -25.98 60.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.107 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 29.8 mm -84.3 -65.34 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.121 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -50.16 -35.08 24.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.866 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 16.2 mtp -90.17 -18.64 25.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 43.7 mttp 57.43 42.72 24.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 26.6 mt -79.58 143.68 34.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.936 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -107.07 167.57 9.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -147.8 154.42 40.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.939 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -79.69 139.91 37.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.446 ' HA ' ' CZ ' ' A' ' 127' ' ' TYR . 35.7 ttpt -58.17 114.67 2.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 43.8 t -93.93 95.37 9.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 114' ' ' SER . 19.6 mp0 -55.75 -45.38 78.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 40.0 mtt-85 -38.56 -30.27 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 112' ' ' GLU . 46.6 m 54.58 50.38 16.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.841 -179.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 6.0 m -45.41 169.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.893 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 61.6 tttt -121.18 109.33 14.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.837 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 23.4 mm -63.06 111.89 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -126.08 160.92 28.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.925 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 7.1 pttp -59.65 -55.6 32.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.44 ' HG3' ' N ' ' A' ' 121' ' ' ASN . 0.1 OUTLIER -48.32 -39.86 23.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 179.875 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . 0.44 ' N ' ' HG3' ' A' ' 120' ' ' LYS . 24.3 m-80 -132.73 85.15 2.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . 0.436 ' HB2' ' NH1' ' A' ' 122' ' ' ARG . 20.9 mtm105 -89.27 -51.22 5.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 27.6 t30 -79.71 48.98 0.99 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 32.7 tptt -96.31 -64.65 1.03 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 49.2 t -115.03 144.58 43.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -88.35 -64.4 1.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . 0.547 ' CE2' ' HG3' ' A' ' 131' ' ' GLN . 76.2 t80 -44.4 -64.03 0.77 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.982 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 59.2 m -45.03 -46.42 11.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.911 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.507 ' HD3' ' CG ' ' A' ' 97' ' ' PHE . 16.8 ttm180 -53.42 -59.36 4.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -56.96 -39.18 74.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.82 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . 0.547 ' HG3' ' CE2' ' A' ' 127' ' ' TYR . 14.1 mm-40 -61.05 -55.08 36.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.922 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 58.1 tttt -45.31 -43.23 10.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.896 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 57.8 m -57.18 -46.98 82.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.903 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 29.5 mt -64.76 -45.84 84.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -54.88 -43.39 73.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.076 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 34.0 mt -63.03 -29.66 70.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 109.48 41.36 1.37 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.475 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 2.9 mtt -75.39 116.14 15.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.8 0.333 . . . . 0.0 110.878 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 1.6 t -65.91 117.23 8.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 22.0 p-80 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.859 179.999 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.865 0.364 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 19.6 t -45.11 149.39 0.48 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.88 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 38.0 mmt-85 -99.82 -29.46 12.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 59.2 t -68.45 -50.69 54.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.097 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 30.6 p -104.21 -46.83 4.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.825 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 122.98 -33.52 4.03 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.506 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -49.45 173.18 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.943 0.401 . . . . 0.0 110.836 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 5.9 ttmt -66.86 112.32 4.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.89 176.1 0.33 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.126 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 53.3 p -123.42 -41.71 2.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.811 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -149.52 170.82 29.71 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.449 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.498 ' CE2' ' HA2' ' A' ' 87' ' ' GLY . 9.8 t80 -99.88 89.12 3.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.929 0.395 . . . . 0.0 110.912 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 24.9 m-70 -105.94 143.8 33.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.848 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 60.45 26.51 16.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.896 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.498 ' HA2' ' CE2' ' A' ' 84' ' ' PHE . . . 63.18 22.29 64.96 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.463 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.43 ' O ' HG13 ' A' ' 88' ' ' VAL . 12.0 p -139.05 125.57 24.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.827 0.346 . . . . 0.0 111.174 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 35.0 m80 -56.64 96.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.89 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -122.01 156.77 32.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.065 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 17.9 p -96.8 156.36 16.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.482 ' HG3' ' N ' ' A' ' 93' ' ' GLY . 11.6 pt-20 -41.85 -44.84 3.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.482 ' N ' ' HG3' ' A' ' 92' ' ' GLU . . . -55.93 -72.54 0.55 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.538 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . 0.436 ' O ' ' C ' ' A' ' 95' ' ' LYS . 67.4 m -52.9 -56.35 16.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.863 0.363 . . . . 0.0 110.846 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 94' ' ' CYS . 0.7 OUTLIER -35.42 -51.73 0.61 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -61.12 -48.06 87.88 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.491 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -44.77 -65.9 0.47 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.926 0.393 . . . . 0.0 110.899 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -41.0 -66.24 0.35 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.839 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 23.9 ttm180 -46.23 -60.48 2.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.841 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 41.3 ttm-85 -39.91 -51.57 2.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.519 HG21 ' CD2' ' A' ' 130' ' ' PHE . 38.9 m -56.8 -39.19 73.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.164 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 21.6 mm -71.43 -58.5 5.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.132 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 2.6 ptp180 -57.6 -30.22 65.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.864 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 39.3 mtp -104.05 0.86 30.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.466 ' N ' ' O ' ' A' ' 101' ' ' THR . 0.1 OUTLIER 41.65 35.12 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.92 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 22.6 mt -57.61 126.68 28.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.926 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -99.09 134.73 41.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -115.91 168.94 9.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.919 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -89.98 130.13 36.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.89 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.504 ' HA ' ' CE2' ' A' ' 127' ' ' TYR . 28.1 tttp -48.69 124.17 7.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.879 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 30.0 t -117.88 98.36 6.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.446 ' O ' ' C ' ' A' ' 113' ' ' ARG . 9.8 mt-10 -64.68 -42.04 95.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.446 ' C ' ' O ' ' A' ' 112' ' ' GLU . 86.8 mtm-85 -34.58 -43.04 0.16 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 115' ' ' CYS . 7.6 t 72.8 39.77 0.64 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 -179.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' CYS . . . . . 0.411 ' C ' ' O ' ' A' ' 114' ' ' SER . 7.2 m -37.04 149.01 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.849 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 1.3 mmmm -103.31 110.84 22.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 9.9 mm -64.15 107.57 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.089 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 21.4 mm-40 -110.99 165.98 11.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.954 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 26.1 ttpp -60.64 -50.14 74.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 32.8 mmtm -58.74 -50.25 74.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 -117.46 80.08 1.44 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 30.4 ptt180 -88.74 -41.38 12.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 43.9 m-20 -88.89 39.84 0.95 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 44.7 tptt -82.26 -65.88 0.96 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 20.4 t -112.49 131.94 55.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -77.83 -54.91 5.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.921 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . 0.504 ' CE2' ' HA ' ' A' ' 110' ' ' LYS . 38.0 t80 -50.3 -65.6 0.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 59.2 m -46.51 -48.82 19.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.915 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 53.0 ttt180 -46.11 -44.46 15.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.519 ' CD2' HG21 ' A' ' 101' ' ' THR . 23.9 t80 -71.49 -52.31 19.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 21.1 mm100 -46.2 -52.21 12.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.935 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 32.1 tttp -44.75 -50.64 9.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 99.5 m -48.83 -54.54 14.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.896 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 93.4 mt -49.1 -52.42 26.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -57.67 -41.96 82.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.149 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 75.8 mt -58.32 -27.6 64.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 107.37 29.44 4.49 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.477 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 9.3 mtt -75.65 116.52 16.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.793 0.33 . . . . 0.0 110.867 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 17.7 m -73.56 106.08 5.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 35.6 p-80 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.847 179.951 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 74' ' ' CYS . 6.2 pt-20 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.867 0.365 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . 0.404 ' C ' ' O ' ' A' ' 73' ' ' GLU . 22.7 t -37.99 145.3 0.07 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.889 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 38.5 mmm-85 -96.55 -13.78 22.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 93.6 t -86.06 -56.71 5.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.114 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 31.5 p -96.89 -43.59 7.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 120.3 -30.03 5.74 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.502 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -51.19 174.73 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.92 0.39 . . . . 0.0 110.847 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 10.3 ttpt -69.19 110.75 4.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -54.98 178.6 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.08 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.9 m -119.58 -33.11 4.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.874 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -166.5 -151.22 6.7 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.483 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.482 ' CZ ' ' HA2' ' A' ' 87' ' ' GLY . 2.2 t80 -122.44 119.37 30.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.889 0.376 . . . . 0.0 110.866 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.413 ' CG ' ' HE2' ' A' ' 95' ' ' LYS . 33.5 m-70 -145.87 150.29 35.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.818 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 53.9 35.48 21.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.482 ' HA2' ' CZ ' ' A' ' 84' ' ' PHE . . . 58.05 12.56 11.74 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.449 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 11.0 p -137.62 131.99 44.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.902 0.382 . . . . 0.0 111.084 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 46.6 m80 -64.83 96.53 0.19 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.836 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -115.83 158.0 23.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.093 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 15.5 p -94.8 161.65 14.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.838 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -47.34 -57.37 5.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.9 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -45.63 -72.6 0.36 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.447 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . 0.413 ' O ' ' C ' ' A' ' 95' ' ' LYS . 92.7 m -45.06 -52.67 8.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.872 0.367 . . . . 0.0 110.87 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.413 ' HE2' ' CG ' ' A' ' 85' ' ' HIS . 40.6 tttm -36.75 -57.76 0.78 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -54.45 -46.27 73.53 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.497 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -51.97 -67.73 0.23 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.871 0.367 . . . . 0.0 110.867 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.448 ' CZ ' ' HB3' ' A' ' 138' ' ' MET . 69.6 t80 -43.27 -66.59 0.36 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 66.7 ttt-85 -44.06 -61.64 1.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 17.8 ttp180 -46.16 -49.29 17.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 61.1 m -55.79 -27.81 52.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.123 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 47.4 mm -82.37 -61.2 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.164 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.464 ' HD3' ' CG ' ' A' ' 104' ' ' MET . 0.4 OUTLIER -56.54 -23.63 41.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 179.94 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . 0.464 ' CG ' ' HD3' ' A' ' 103' ' ' ARG . 13.1 mtp -97.89 -5.05 35.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.405 ' HG2' ' C ' ' A' ' 104' ' ' MET . 0.4 OUTLIER 40.37 37.9 0.49 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.905 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.409 ' HG ' ' CB ' ' A' ' 104' ' ' MET . 11.3 mt -67.42 134.77 52.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 55.4 tt0 -95.3 147.91 22.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -128.33 168.63 15.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.877 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -96.13 137.55 35.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.937 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 44.4 tttm -56.46 123.59 15.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 38.2 t -115.43 99.93 7.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.899 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -66.11 -37.56 86.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 73.8 mtt180 -45.05 -24.0 0.2 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.856 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 115' ' ' CYS . 54.1 m 48.38 45.3 20.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.753 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' CYS . . . . . 0.402 ' C ' ' O ' ' A' ' 114' ' ' SER . 8.5 m -37.51 154.05 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.862 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 24.2 tttp -100.83 113.47 26.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.915 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 9.7 mm -71.01 95.15 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.082 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -97.58 161.14 13.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 13.7 ptpt -62.22 -33.66 75.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 9.6 ptmt -90.27 -26.77 19.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.944 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . 0.431 ' ND2' ' HD2' ' A' ' 124' ' ' LYS . 10.5 m120 -118.99 53.35 1.01 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . 0.437 ' HG3' ' N ' ' A' ' 123' ' ' ASN . 36.1 ptt180 -85.37 -43.15 13.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . 0.437 ' N ' ' HG3' ' A' ' 122' ' ' ARG . 23.2 m120 -83.88 53.44 2.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.905 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . 0.431 ' HD2' ' ND2' ' A' ' 121' ' ' ASN . 16.5 mtpt -113.11 -64.12 1.35 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.93 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 48.3 t -112.39 136.41 51.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -82.52 -59.72 2.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.967 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -44.88 -70.3 0.11 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 82.2 m -41.27 -38.9 1.24 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.925 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 23.7 ttt85 -55.91 -54.84 39.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.871 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -63.45 -50.16 70.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -47.59 -52.31 18.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 17.9 tttp -47.13 -45.08 22.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 81.6 m -55.89 -54.25 46.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 69.0 mt -56.2 -45.26 79.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -58.89 -42.91 90.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.071 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 76.6 mt -58.17 -29.51 65.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 114.02 26.84 3.66 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.505 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' MET . . . . . 0.448 ' HB3' ' CZ ' ' A' ' 98' ' ' PHE . 5.2 mtt -69.07 126.16 28.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.748 0.308 . . . . 0.0 110.93 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 12.5 t -93.18 123.74 36.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.877 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 41.0 p-80 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 179.959 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.892 0.377 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 45.5 t -46.13 148.74 0.8 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -97.56 -29.18 13.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.922 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.539 HG22 ' CD1' ' A' ' 136' ' ' LEU . 69.0 t -70.85 -63.4 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.117 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.418 ' SG ' ' N ' ' A' ' 78' ' ' GLY . 18.6 p -93.78 -45.42 7.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.842 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.418 ' N ' ' SG ' ' A' ' 77' ' ' CYS . . . 125.32 -40.3 1.9 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.511 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.446 ' O ' ' C ' ' A' ' 80' ' ' LYS . 21.4 t70 -41.95 154.3 0.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.838 0.351 . . . . 0.0 110.899 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 79' ' ' ASP . 0.6 OUTLIER -34.0 143.06 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -92.87 143.05 26.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.133 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 32.2 t -86.35 -56.9 3.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.913 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -150.48 -149.23 4.97 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.505 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.478 ' CE2' ' HA2' ' A' ' 87' ' ' GLY . 21.1 t80 -123.28 93.32 3.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.921 0.391 . . . . 0.0 110.881 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 50.6 m-70 -114.81 144.4 43.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.895 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 57.18 30.05 17.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.946 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.478 ' HA2' ' CE2' ' A' ' 84' ' ' PHE . . . 62.64 17.4 57.41 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.49 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.657 HG21 ' HB3' ' A' ' 136' ' ' LEU . 4.3 p -139.47 136.12 40.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.887 0.375 . . . . 0.0 111.138 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 32.4 m80 -68.54 97.5 0.78 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -119.12 158.69 25.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.084 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . 0.446 ' O ' ' CB ' ' A' ' 95' ' ' LYS . 20.2 p -95.14 176.42 6.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.879 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.408 ' CD ' ' H ' ' A' ' 92' ' ' GLU . 26.8 mp0 -57.0 -50.49 72.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -53.41 -70.46 0.92 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.479 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 57.1 m -53.91 -43.42 69.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.935 0.397 . . . . 0.0 110.881 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.446 ' CB ' ' O ' ' A' ' 91' ' ' CYS . 58.1 tttt -44.7 -47.96 10.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.932 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -72.87 -47.39 25.64 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.44 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.486 ' CE2' ' HG2' ' A' ' 129' ' ' ARG . 24.2 t80 -42.81 -57.78 2.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.913 0.387 . . . . 0.0 110.881 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 79.6 t80 -52.53 -61.65 2.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 54.9 ttt180 -47.66 -62.19 1.57 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.866 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 24.6 ttt180 -44.11 -52.16 7.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.837 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.573 HG21 ' CD1' ' A' ' 130' ' ' PHE . 62.9 m -53.31 -31.53 44.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.102 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 25.6 mm -80.09 -64.27 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.158 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -52.64 -25.62 11.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.887 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 4.3 mtp -94.31 -23.83 17.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.868 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 18.5 mmmt 62.01 38.33 14.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 15.3 mt -78.85 140.15 38.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -123.92 151.25 43.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -126.76 178.7 5.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.968 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.436 ' H ' ' CD ' ' A' ' 109' ' ' GLU . 0.0 OUTLIER -89.77 147.23 23.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.89 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 19.9 tttm -57.75 121.98 11.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.935 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 47.1 t -102.99 104.23 14.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.847 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -66.96 -43.08 84.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 50.7 mtp180 -43.01 -28.34 0.26 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.858 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 46.1 m 52.8 48.12 23.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' CYS . . . . . 0.441 ' N ' ' SG ' ' A' ' 128' ' ' CYS . 5.6 m -40.57 146.27 0.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.868 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 48.2 mtpt -97.43 108.83 21.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 29.1 mm -64.26 90.02 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.106 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -104.0 148.79 25.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 10.3 ptpt -47.46 -46.37 26.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 13.7 ptpt -53.13 -50.06 65.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -128.57 79.14 1.89 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 27.6 ptt-85 -88.22 -31.13 19.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -94.99 45.33 1.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 8.3 tmtm? -95.18 -62.38 1.32 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 46.7 t -114.62 149.06 37.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.859 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -88.49 -65.92 0.97 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -39.86 -59.41 1.19 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . 0.441 ' SG ' ' N ' ' A' ' 115' ' ' CYS . 67.9 m -50.23 -42.67 52.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.841 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.486 ' HG2' ' CE2' ' A' ' 97' ' ' PHE . 6.6 ttp180 -56.65 -63.38 1.22 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.573 ' CD1' HG21 ' A' ' 101' ' ' THR . 39.3 t80 -51.43 -51.3 56.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . 0.47 ' OE1' HD12 ' A' ' 134' ' ' LEU . 8.6 mm100 -45.71 -53.46 9.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.934 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 48.2 tttt -46.08 -48.81 17.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' CYS . . . . . 0.508 ' HA ' HD12 ' A' ' 136' ' ' LEU . 89.4 m -51.99 -53.2 44.45 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.876 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.47 HD12 ' OE1' ' A' ' 131' ' ' GLN . 92.6 mt -50.19 -50.47 49.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.937 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.01 -37.1 85.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.091 179.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.657 ' HB3' HG21 ' A' ' 88' ' ' VAL . 78.7 mt -59.39 -27.18 65.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.898 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 107.11 21.07 8.28 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.506 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 9.6 mtt -68.89 110.0 4.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.814 0.34 . . . . 0.0 110.87 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 15.9 m -82.98 132.95 35.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 179.936 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.906 0.384 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . 0.415 ' N ' ' HB2' ' A' ' 81' ' ' ALA . 47.6 t -47.25 126.89 10.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.928 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.44 ' O ' HD11 ' A' ' 136' ' ' LEU . 10.9 mmt85 -85.76 26.59 0.95 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 98.9 t -128.64 -43.42 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.122 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.404 ' SG ' ' N ' ' A' ' 78' ' ' GLY . 22.2 p -120.24 -46.44 2.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.404 ' N ' ' SG ' ' A' ' 77' ' ' CYS . . . 134.43 -37.06 2.0 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.481 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -51.4 157.35 1.03 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.887 0.375 . . . . 0.0 110.837 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 23.3 tttt -40.09 133.05 1.78 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.451 ' O ' ' C ' ' A' ' 82' ' ' SER . . . -87.71 101.66 13.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.076 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 81' ' ' ALA . 10.6 t -34.26 -54.38 0.51 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 173.21 -146.21 8.83 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.438 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.566 ' CZ ' ' HA2' ' A' ' 87' ' ' GLY . 91.5 t80 -85.28 123.48 30.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.915 0.388 . . . . 0.0 110.883 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 22.2 m-70 -152.7 131.76 12.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 54.01 25.56 5.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.909 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.566 ' HA2' ' CZ ' ' A' ' 84' ' ' PHE . . . 83.88 -22.23 8.35 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.468 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.886 HG21 HD13 ' A' ' 136' ' ' LEU . 11.6 p -108.19 133.9 51.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.844 0.354 . . . . 0.0 111.157 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 33.0 m80 -72.18 85.41 1.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -107.48 173.27 6.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.121 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 20.3 p -99.09 155.82 17.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -49.4 -27.4 4.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.926 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -72.45 -36.46 59.13 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.519 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 68.3 m -85.54 -35.72 20.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.877 0.37 . . . . 0.0 110.857 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -49.63 -46.62 49.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -61.83 -52.61 49.29 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.511 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -42.0 -67.22 0.28 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.922 0.391 . . . . 0.0 110.877 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -38.51 -68.94 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.899 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 14.6 ttt85 -41.17 -65.28 0.45 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.841 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 58.4 ttt180 -39.54 -52.75 2.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.563 HG21 ' CD1' ' A' ' 130' ' ' PHE . 27.5 m -51.24 -45.23 61.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.122 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 25.1 mm -67.09 -64.71 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 2.0 ptp180 -49.93 -29.05 7.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.847 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 14.5 mtp -96.32 -15.37 21.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 101' ' ' THR . 23.7 mmmt 50.63 42.8 27.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.884 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 33.7 mt -70.51 118.01 12.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -92.26 133.57 35.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -118.94 172.08 7.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.949 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.433 ' HG2' ' N ' ' A' ' 110' ' ' LYS . 22.4 tt0 -95.3 146.83 24.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.433 ' N ' ' HG2' ' A' ' 109' ' ' GLU . 11.5 tppt? -59.65 125.92 25.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.857 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 48.5 t -112.7 100.65 8.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -67.75 -30.43 69.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 21.8 mmt180 -51.09 -20.34 1.42 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.893 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 115' ' ' CYS . 1.8 m 46.3 47.2 13.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.847 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' CYS . . . . . 0.418 ' C ' ' O ' ' A' ' 114' ' ' SER . 14.5 m -37.12 152.78 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.904 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 7.5 mtpm? -99.49 101.82 13.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 39.5 mm -65.91 109.73 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.158 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -119.68 166.51 13.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 12.3 ptpt -69.63 -20.79 63.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.869 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 10.3 tppt? -77.94 -42.69 32.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.918 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -133.99 66.41 1.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.881 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 21.2 ptt180 -76.37 -22.7 54.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 -100.38 47.8 0.93 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.853 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 6.0 tptm -100.52 -57.33 2.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 30.8 t -117.19 143.67 45.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -86.55 -59.99 2.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 49.8 t80 -45.82 -71.14 0.08 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 93.4 m -39.58 -51.86 2.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.867 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 53.2 ttt180 -47.58 -49.72 25.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.563 ' CD1' HG21 ' A' ' 101' ' ' THR . 40.7 t80 -69.6 -41.8 75.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . 0.428 ' HA ' HD12 ' A' ' 134' ' ' LEU . 13.1 mm100 -56.27 -59.36 5.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.936 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 24.9 tttp -40.71 -49.53 3.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.863 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 37.8 m -53.14 -51.53 61.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.873 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.428 HD12 ' HA ' ' A' ' 131' ' ' GLN . 25.9 mt -53.99 -56.19 20.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.956 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -49.69 -36.88 26.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.039 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.886 HD13 HG21 ' A' ' 88' ' ' VAL . 84.1 mt -68.3 -25.06 64.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.943 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . 0.443 ' O ' ' C ' ' A' ' 138' ' ' MET . . . 121.08 -12.68 9.77 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.457 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' MET . . . . . 0.443 ' C ' ' O ' ' A' ' 137' ' ' GLY . 2.4 mmt -34.16 126.88 0.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.786 0.327 . . . . 0.0 110.884 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 78.5 p -114.61 129.49 56.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.85 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.898 0.38 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . 0.436 ' SG ' ' HB ' ' A' ' 76' ' ' VAL . 42.9 t -65.0 116.69 6.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -58.05 -27.08 63.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.466 HG22 ' CD1' ' A' ' 136' ' ' LEU . 15.6 t -69.19 -71.56 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.098 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 31.8 p -96.6 -47.81 5.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 131.91 -36.41 2.22 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.515 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -39.75 158.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.907 0.384 . . . . 0.0 110.839 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 18.5 mttm -42.32 126.11 3.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -77.5 111.84 13.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.126 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 39.0 t -54.72 -55.45 29.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.796 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -158.33 -138.75 2.55 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.457 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -124.93 91.79 3.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.884 0.374 . . . . 0.0 110.857 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 45.7 m-70 -106.32 141.3 37.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.854 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 42.1 m-85 54.77 41.96 31.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.905 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 54.84 21.45 23.13 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.488 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.456 HG11 ' HG2' ' A' ' 138' ' ' MET . 6.6 p -140.54 136.3 35.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.851 0.358 . . . . 0.0 111.092 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 38.9 m80 -70.93 87.78 0.73 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.826 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -116.62 171.6 7.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.143 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 16.4 p -104.04 172.37 6.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.869 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -61.6 -50.83 71.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -46.86 -47.59 19.03 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.509 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 99.8 m -74.81 -49.79 19.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.908 0.385 . . . . 0.0 110.869 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 21.1 tttp -42.85 -60.31 1.64 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -53.86 -40.96 66.12 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.489 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -59.75 -55.57 32.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.834 0.349 . . . . 0.0 110.875 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -51.3 -54.87 21.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 15.7 ttm180 -56.97 -58.53 7.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.852 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 14.4 ttt180 -42.58 -48.49 5.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.439 ' O ' ' N ' ' A' ' 105' ' ' LYS . 47.3 m -57.1 -42.82 81.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.157 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 48.0 mm -66.65 -63.91 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.112 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 29.1 ptt85 -51.01 -40.42 58.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.81 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 62.8 mtp -84.82 -15.98 42.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.876 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 101' ' ' THR . 15.6 mmtp 53.59 47.34 24.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 24.7 mt -77.48 123.8 27.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -93.82 136.63 33.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.873 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -117.36 158.46 24.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.955 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -85.04 119.34 25.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.909 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.562 ' HA ' ' CE2' ' A' ' 127' ' ' TYR . 2.4 tmmm? -40.24 117.98 0.85 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.879 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 45.9 t -102.27 93.53 5.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 113' ' ' ARG . 39.3 mt-10 -53.58 -46.58 70.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.862 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 112' ' ' GLU . 65.1 mmt-85 -35.07 -40.45 0.12 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.855 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 9.1 t 66.26 45.03 2.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.873 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 9.0 m -37.9 146.51 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.855 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 60.7 mmtt -91.33 109.19 20.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 38.0 mm -66.55 109.17 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.142 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -118.55 161.65 19.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.447 ' HG3' ' N ' ' A' ' 120' ' ' LYS . 12.7 ptmm? -67.8 -42.72 81.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.447 ' N ' ' HG3' ' A' ' 119' ' ' LYS . 0.0 OUTLIER -54.97 -48.32 73.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.932 179.843 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 67.8 m-20 -131.11 81.44 1.99 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.9 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 28.7 ptt180 -87.72 -31.01 19.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -85.22 47.28 1.39 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.906 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 19.1 ttpp -99.96 -62.22 1.27 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 10.9 t -116.89 142.77 46.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.897 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 16.7 mp0 -88.06 -54.51 4.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.933 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . 0.562 ' CE2' ' HA ' ' A' ' 110' ' ' LYS . 64.5 t80 -52.67 -58.03 8.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.915 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 65.7 m -51.35 -48.69 62.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.894 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 6.7 tpp85 -53.19 -54.45 35.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -61.59 -58.51 7.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.884 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . 0.53 ' HG3' ' CE1' ' A' ' 127' ' ' TYR . 7.3 mm100 -41.45 -47.55 3.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.935 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 25.1 tttp -49.96 -54.86 17.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.879 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 92.1 m -45.12 -48.88 12.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 66.1 mt -54.34 -49.36 69.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.02 -35.84 81.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.107 179.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.466 ' CD1' HG22 ' A' ' 76' ' ' VAL . 89.3 mt -61.64 -26.56 68.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 107.76 29.68 4.3 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.499 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' MET . . . . . 0.456 ' HG2' HG11 ' A' ' 88' ' ' VAL . 3.7 mtt -75.14 105.31 6.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.758 0.314 . . . . 0.0 110.902 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 55.3 p -68.94 115.9 8.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.858 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 23.8 p-80 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 179.964 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.898 0.38 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . 0.511 ' O ' ' N ' ' A' ' 78' ' ' GLY . 41.7 t -64.72 110.47 2.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 39.3 mmt-85 -50.67 -33.88 24.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.926 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 10.8 t -62.6 -71.5 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.133 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 24.3 p -97.36 -45.88 6.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.854 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.511 ' N ' ' O ' ' A' ' 74' ' ' CYS . . . 128.48 -36.19 2.52 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.483 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.428 ' O ' ' C ' ' A' ' 80' ' ' LYS . 13.0 t0 -42.0 157.75 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.902 0.382 . . . . 0.0 110.834 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 79' ' ' ASP . 21.8 pttt -35.72 132.35 0.47 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.8 98.21 10.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.103 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 11.9 t -42.35 -50.81 5.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -167.03 -154.68 8.58 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.437 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -109.66 90.91 3.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.921 0.391 . . . . 0.0 110.911 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 68.2 m-70 -107.0 139.11 41.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 58.21 37.39 26.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.945 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 59.42 20.19 50.22 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.499 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 3.2 p -140.75 138.76 35.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.891 0.377 . . . . 0.0 111.079 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 8.2 m80 -71.84 90.73 1.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -116.58 171.52 7.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 18.9 p -102.65 170.25 8.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.878 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -58.78 -49.4 77.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -49.87 -72.39 0.49 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.519 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . 0.419 ' O ' ' C ' ' A' ' 95' ' ' LYS . 89.3 m -41.52 -55.45 2.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.897 0.379 . . . . 0.0 110.919 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 94' ' ' CYS . 12.3 ttmm -36.8 -51.07 0.88 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.924 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -55.83 -46.93 81.99 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.513 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.533 ' CE2' ' HG2' ' A' ' 129' ' ' ARG . 68.6 t80 -60.36 -55.68 30.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.859 0.361 . . . . 0.0 110.88 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.502 ' CZ ' ' HB3' ' A' ' 138' ' ' MET . 74.1 t80 -52.37 -61.16 2.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 28.9 ttm180 -52.46 -53.09 50.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 21.1 ttm180 -46.82 -47.78 21.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 27.8 m -61.04 -37.28 82.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.13 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 13.0 mm -72.46 -63.16 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.111 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 23.5 ptt180 -51.91 -38.5 56.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.938 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 41.5 mtp -88.03 -10.89 48.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.868 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 36.5 mtpt 49.57 49.22 20.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.936 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 47.8 mt -84.69 169.0 14.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -144.85 159.43 42.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.465 ' CD1' ' HB3' ' A' ' 126' ' ' GLN . 55.8 m-85 -140.12 170.71 15.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.931 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -77.84 135.61 37.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.916 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.497 ' HA ' ' CZ ' ' A' ' 127' ' ' TYR . 24.6 ttmt -55.1 137.72 45.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 49.0 t -125.05 112.13 16.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -75.69 -37.47 59.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 58.2 mtp85 -43.65 -25.02 0.14 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.869 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 115' ' ' CYS . 7.6 m 51.92 45.4 28.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.83 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' CYS . . . . . 0.409 ' C ' ' O ' ' A' ' 114' ' ' SER . 10.7 m -37.49 152.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 27.7 mttm -97.8 108.49 21.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 30.6 mm -70.21 109.55 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.152 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 65.0 mt-30 -123.47 161.16 25.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.9 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 16.2 ttpp -38.77 -50.96 1.71 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 35.9 mmtt -80.6 -47.93 13.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.921 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -82.86 44.54 0.93 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 32.1 ttp180 -83.12 -50.69 8.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.86 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -90.99 39.43 0.99 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 29.8 tttm -91.3 -56.98 2.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 33.5 t -117.07 145.47 43.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.877 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . 0.465 ' HB3' ' CD1' ' A' ' 108' ' ' TYR . 50.7 mt-30 -87.36 -52.38 5.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . 0.497 ' CZ ' ' HA ' ' A' ' 110' ' ' LYS . 13.6 t80 -58.13 -65.98 0.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 80.2 m -41.15 -42.71 2.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.912 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.533 ' HG2' ' CE2' ' A' ' 97' ' ' PHE . 19.4 ttt180 -55.9 -47.73 76.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.912 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -72.05 -44.54 63.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . 0.42 ' CG ' ' CE2' ' A' ' 127' ' ' TYR . 17.4 mm100 -55.05 -52.95 61.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.877 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 59.5 tttt -46.67 -60.62 2.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 34.2 m -42.32 -56.6 2.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 23.5 mt -56.54 -49.76 73.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -52.53 -36.66 55.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.114 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 81.0 mt -67.75 -24.06 65.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.97 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 104.89 28.64 5.54 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.47 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' MET . . . . . 0.502 ' HB3' ' CZ ' ' A' ' 98' ' ' PHE . 9.2 mtt -69.94 107.41 3.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.812 0.339 . . . . 0.0 110.851 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 14.9 m -76.44 133.0 39.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.88 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 4.9 p80 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.846 179.964 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 26.3 pm0 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.908 0.385 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . 0.469 ' N ' ' HB2' ' A' ' 81' ' ' ALA . 48.7 t -46.96 136.63 8.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.844 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 30.6 mmt180 -92.6 -16.95 25.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.846 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.529 HG22 ' CD1' ' A' ' 136' ' ' LEU . 45.2 t -79.21 -56.64 6.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.096 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.418 ' SG ' ' N ' ' A' ' 78' ' ' GLY . 16.1 p -106.19 -44.78 4.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.418 ' N ' ' SG ' ' A' ' 77' ' ' CYS . . . 132.55 -44.74 1.18 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.471 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 80' ' ' LYS . 29.5 t70 -41.66 149.49 0.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.891 0.377 . . . . 0.0 110.863 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 79' ' ' ASP . 7.8 ttpp -34.45 135.2 0.18 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.469 ' HB2' ' N ' ' A' ' 74' ' ' CYS . . . -87.96 104.15 16.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.087 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 13.4 t -42.95 -47.96 5.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -165.99 -161.3 14.73 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.531 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -105.89 94.59 5.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.916 0.389 . . . . 0.0 110.808 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 35.1 m-70 -110.83 145.1 38.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.843 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 55.52 30.93 16.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 61.95 16.2 51.64 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.532 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.595 HG21 ' HB3' ' A' ' 136' ' ' LEU . 7.9 p -137.25 131.09 44.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.877 0.37 . . . . 0.0 111.116 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 12.7 m80 -59.93 97.81 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.863 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -128.27 156.39 43.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.092 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 19.9 p -93.15 173.5 7.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -60.51 -52.11 66.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.884 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -47.9 -68.9 1.06 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.471 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 98.8 m -44.38 -49.54 9.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.882 0.372 . . . . 0.0 110.876 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 19.8 ttpp -38.97 -66.49 0.28 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -39.73 -53.3 3.05 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.482 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.545 ' CE2' ' HG2' ' A' ' 129' ' ' ARG . 88.6 t80 -51.03 -65.87 0.48 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.841 0.353 . . . . 0.0 110.891 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.471 ' CZ ' ' HB3' ' A' ' 138' ' ' MET . 63.6 t80 -41.73 -69.96 0.12 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.414 ' O ' ' N ' ' A' ' 102' ' ' ILE . 21.8 ttm180 -46.91 -59.91 2.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.405 ' HA ' ' CG ' ' A' ' 103' ' ' ARG . 17.9 ttp180 -42.39 -45.05 4.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 97.5 m -63.0 -33.7 75.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.162 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.414 ' N ' ' O ' ' A' ' 99' ' ' ARG . 35.6 mm -76.88 -56.81 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.165 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.442 ' NH1' ' HB2' ' A' ' 103' ' ' ARG . 3.6 ptm85 -56.37 -29.98 62.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.857 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 21.5 mtp -97.8 -6.59 32.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 54.2 mtpt 46.13 47.66 13.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.92 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 22.4 mt -83.87 129.37 34.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.909 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -114.37 163.4 15.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 33.2 m-85 -148.17 167.98 23.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.93 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -79.04 144.59 34.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.43 ' HA ' ' CE2' ' A' ' 127' ' ' TYR . 32.5 tttp -55.82 110.18 0.69 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 37.3 t -88.98 86.44 6.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.908 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' A' ' 114' ' ' SER . 49.3 mt-10 -49.28 -41.93 39.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 40.3 mtm180 -39.34 -29.34 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.851 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 115' ' ' CYS . 1.8 m 52.24 45.21 28.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.839 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' CYS . . . . . 0.43 ' C ' ' O ' ' A' ' 114' ' ' SER . 8.1 m -35.89 134.69 0.35 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.913 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -84.27 103.98 13.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 23.6 mm -62.67 95.3 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.149 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 44.8 tp60 -103.47 142.14 34.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.943 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 31.1 mtmt -43.65 -49.72 7.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 63.2 tttt -50.81 -48.73 59.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.882 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -130.88 81.89 2.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.89 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 16.6 ptt180 -88.31 -32.2 18.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 32.6 p-10 -88.91 44.31 1.2 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.91 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 23.5 ttmt -90.79 -62.07 1.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 49.8 t -110.76 147.37 34.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 23.7 mp0 -85.93 -64.19 1.19 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . 0.569 ' CE2' ' HG3' ' A' ' 131' ' ' GLN . 65.1 t80 -45.54 -68.04 0.23 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 95.8 m -41.68 -50.12 4.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.545 ' HG2' ' CE2' ' A' ' 97' ' ' PHE . 38.1 ttt180 -50.17 -50.53 48.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.463 ' CE2' HD11 ' A' ' 134' ' ' LEU . 31.0 t80 -65.85 -53.23 42.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . 0.569 ' HG3' ' CE2' ' A' ' 127' ' ' TYR . 29.6 mm-40 -47.69 -50.61 24.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.05 -53.29 20.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 5.5 m -51.19 -50.93 58.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.463 HD11 ' CE2' ' A' ' 130' ' ' PHE . 74.8 mt -55.78 -48.36 75.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -59.5 -32.94 70.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.112 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.595 ' HB3' HG21 ' A' ' 88' ' ' VAL . 71.5 mt -65.85 -28.57 69.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.969 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 114.56 23.8 4.61 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.482 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' MET . . . . . 0.471 ' HB3' ' CZ ' ' A' ' 98' ' ' PHE . 7.8 mtt -69.24 114.06 7.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.805 0.336 . . . . 0.0 110.844 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 4.1 t -74.91 112.27 10.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 47.8 p-80 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.878 179.989 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.912 0.387 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 42.8 t -44.24 150.63 0.29 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.896 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -101.36 -25.36 13.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 38.6 t -75.63 -58.67 4.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.14 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 15.1 p -99.36 -41.06 7.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 119.99 -39.8 2.37 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.501 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 80' ' ' LYS . 26.9 t70 -42.22 151.83 0.1 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.854 0.359 . . . . 0.0 110.888 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 79' ' ' ASP . 23.6 tttt -35.24 136.95 0.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.935 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -87.78 141.86 28.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.133 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 47.1 t -92.03 -39.57 11.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.838 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -160.44 -158.73 9.42 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.507 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -122.6 89.01 3.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.884 0.373 . . . . 0.0 110.893 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 42.0 m-70 -106.86 140.4 39.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.878 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 64.7 28.25 13.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.938 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 62.86 19.38 60.9 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.464 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.408 HG21 ' HB3' ' A' ' 136' ' ' LEU . 5.5 p -138.55 139.42 41.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.903 0.382 . . . . 0.0 111.113 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 15.8 m80 -67.52 90.83 0.26 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -118.7 157.31 27.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.116 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 20.4 p -95.46 172.93 7.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -56.04 -49.21 74.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.903 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -52.73 -70.67 0.84 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.475 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 64.1 m -52.07 -47.62 65.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.894 0.378 . . . . 0.0 110.871 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 34.3 tttt -42.25 -49.36 5.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -63.51 -60.94 6.75 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.481 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.563 ' CE2' ' HD3' ' A' ' 129' ' ' ARG . 39.3 t80 -38.09 -62.33 0.58 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.894 0.378 . . . . 0.0 110.888 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.547 ' CE2' ' HB3' ' A' ' 138' ' ' MET . 73.7 t80 -46.15 -55.12 7.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.558 ' NE ' HH21 ' A' ' 103' ' ' ARG . 29.4 ttt180 -55.76 -66.06 0.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.45 ' HA ' ' CG ' ' A' ' 103' ' ' ARG . 34.5 ttt180 -39.28 -49.12 1.92 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.858 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 90.9 m -56.81 -37.64 71.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.109 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.447 ' O ' ' N ' ' A' ' 105' ' ' LYS . 43.1 mm -77.55 -65.53 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.15 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.558 HH21 ' NE ' ' A' ' 99' ' ' ARG . 3.6 ptp180 -43.9 -28.93 0.5 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 25.7 mtp -98.91 -21.96 16.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 102' ' ' ILE . 34.6 mmtt 63.36 47.36 3.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 24.7 mt -81.45 146.75 30.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.867 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -116.43 159.82 21.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 49.5 m-85 -140.8 146.78 38.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.944 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.521 ' O ' ' CD2' ' A' ' 127' ' ' TYR . 8.0 pt-20 -55.76 162.07 1.9 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.909 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 45.7 tttt -77.71 116.42 18.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.939 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 16.4 t -105.11 115.12 29.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.85 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -85.44 -29.33 24.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 60.9 mtt180 -51.05 -22.97 2.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 115' ' ' CYS . 27.5 m 51.49 43.41 29.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.757 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' CYS . . . . . 0.426 ' C ' ' O ' ' A' ' 114' ' ' SER . 9.2 m -36.51 137.61 0.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.887 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 23.6 ttmt -89.28 109.72 20.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 28.1 mm -66.0 105.53 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.119 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 62.6 mt-30 -102.71 163.54 12.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.906 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 47.0 pttt -62.94 -43.26 99.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.845 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 48.9 mttm -62.62 -52.34 63.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 39.2 m-20 -105.65 92.36 4.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 82.7 mtm-85 -87.06 -54.81 4.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.897 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -81.53 43.8 0.76 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 12.5 tmtt? -78.52 -63.58 1.37 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 35.8 t -118.42 137.49 53.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . 0.453 ' NE2' ' HA ' ' A' ' 126' ' ' GLN . 6.0 mm-40 -78.88 -45.91 19.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.89 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . 0.521 ' CD2' ' O ' ' A' ' 109' ' ' GLU . 40.0 t80 -64.34 -71.74 0.17 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 84.4 m -41.26 -55.47 2.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.854 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.563 ' HD3' ' CE2' ' A' ' 97' ' ' PHE . 41.3 ttt85 -44.61 -45.1 9.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -69.33 -60.27 2.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 40.5 mm-40 -41.81 -45.38 3.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.29 -54.66 28.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.909 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' CYS . . . . . 0.468 ' HB3' ' CD1' ' A' ' 98' ' ' PHE . 65.0 m -49.7 -39.21 36.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 93.1 mt -64.63 -48.04 76.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.926 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -57.59 -38.22 74.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.113 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.408 ' HB3' HG21 ' A' ' 88' ' ' VAL . 59.7 mt -60.92 -28.42 68.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 109.71 6.72 28.41 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.473 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' MET . . . . . 0.547 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 7.2 mtt -51.41 116.24 1.97 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.801 0.334 . . . . 0.0 110.897 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 1.6 t -75.89 157.63 33.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.849 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' HIS . . . . . 0.403 ' ND1' HD12 ' A' ' 102' ' ' ILE . 15.9 m170 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.873 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.909 0.385 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 44.8 t -66.23 147.34 53.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.924 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 22.4 mmt180 -90.18 -25.58 20.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 66.1 t -74.52 -70.96 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.104 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.4 ' SG ' ' N ' ' A' ' 78' ' ' GLY . 31.2 p -86.89 -48.22 8.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.4 ' N ' ' SG ' ' A' ' 77' ' ' CYS . . . 127.49 -34.24 3.09 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.514 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.447 ' O ' ' C ' ' A' ' 80' ' ' LYS . 23.8 t70 -48.86 150.72 1.4 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.859 0.361 . . . . 0.0 110.87 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 79' ' ' ASP . 18.2 tttt -34.07 137.61 0.1 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -84.94 145.56 27.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.1 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 25.0 m -93.75 -47.24 6.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -154.42 -175.95 26.18 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.474 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -103.58 89.29 3.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.882 0.373 . . . . 0.0 110.908 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 18.6 m-70 -110.73 147.23 34.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.868 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.439 ' HB2' HG12 ' A' ' 88' ' ' VAL . 4.9 m-85 58.07 30.7 19.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.929 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 60.49 13.29 29.68 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.445 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.439 HG12 ' HB2' ' A' ' 86' ' ' TYR . 7.0 p -134.07 132.3 55.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.88 0.372 . . . . 0.0 111.12 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 25.1 m80 -62.12 91.08 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -116.26 164.38 14.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.119 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 17.8 p -102.83 159.03 15.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.882 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -46.36 -47.98 18.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -50.6 -68.73 1.33 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.492 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 84.9 m -55.24 -48.59 73.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.952 0.406 . . . . 0.0 110.907 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 20.6 tttm -38.2 -65.62 0.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.931 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -48.01 -60.46 5.53 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.46 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.476 ' CE1' ' HG2' ' A' ' 129' ' ' ARG . 11.7 t80 -38.15 -60.54 0.75 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.888 0.375 . . . . 0.0 110.881 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -44.96 -68.16 0.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 19.7 ttm180 -46.42 -58.29 3.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 17.7 ttt180 -41.94 -57.81 2.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 61.9 m -53.18 -30.66 38.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.184 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 48.4 mm -76.57 -64.07 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.163 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 28.2 ptt180 -53.56 -24.88 14.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . 0.445 ' CB ' ' HG ' ' A' ' 106' ' ' LEU . 11.6 mtp -96.25 -14.13 22.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 24.7 mtpp 51.2 36.67 16.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.938 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.445 ' HG ' ' CB ' ' A' ' 104' ' ' MET . 23.8 mt -74.66 146.85 42.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 12.8 pm0 -114.99 169.51 9.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -148.96 164.97 33.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.942 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -73.47 139.16 45.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.891 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.45 ' HA ' ' CE2' ' A' ' 127' ' ' TYR . 22.1 ttmt -63.75 128.73 37.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 49.9 t -120.05 107.45 13.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.845 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -73.83 -32.81 63.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.863 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 74.1 mtp180 -47.21 -21.84 0.32 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 115' ' ' CYS . 47.0 m 48.65 45.87 21.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' CYS . . . . . 0.454 ' N ' ' SG ' ' A' ' 128' ' ' CYS . 14.0 m -36.46 151.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.88 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 6.5 tmtm? -103.53 109.62 21.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 25.6 mm -62.88 108.05 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.116 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -117.06 141.08 48.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.955 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 28.3 ttpt -47.09 -52.23 15.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.937 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 27.1 mttt -45.43 -55.09 6.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -130.31 80.99 1.98 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 30.5 ptt-85 -84.99 -34.74 22.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.844 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 43.9 t-20 -80.2 59.21 3.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 20.8 ttpt -112.19 -65.51 1.17 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 33.9 t -112.65 137.54 50.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -87.68 -55.19 3.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.941 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . 0.49 ' CE1' ' HG3' ' A' ' 131' ' ' GLN . 44.5 t80 -47.29 -56.02 7.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . 0.454 ' SG ' ' N ' ' A' ' 115' ' ' CYS . 47.2 m -53.19 -55.8 21.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.905 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.476 ' HG2' ' CE1' ' A' ' 97' ' ' PHE . 13.5 ttm-85 -40.06 -53.17 2.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -62.78 -45.17 93.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . 0.49 ' HG3' ' CE1' ' A' ' 127' ' ' TYR . 14.3 mm100 -51.42 -55.87 16.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 27.1 tttp -42.32 -58.27 2.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 55.3 m -42.2 -46.48 4.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.881 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.488 ' CD2' ' NE2' ' A' ' 140' ' ' HIS . 46.1 mt -63.64 -57.23 10.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -51.35 -34.31 33.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.113 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 65.6 mt -64.34 -26.22 68.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 108.44 14.84 15.07 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.504 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 17.1 mtt -59.18 121.48 11.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.738 0.304 . . . . 0.0 110.878 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 8.2 t -88.24 119.25 28.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.87 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' HIS . . . . . 0.488 ' NE2' ' CD2' ' A' ' 134' ' ' LEU . 12.9 m80 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.851 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.951 0.405 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 42.5 t -67.53 132.33 47.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.847 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.487 ' CZ ' ' HB3' ' A' ' 75' ' ' ARG . 2.6 mmm180 -88.37 25.1 1.73 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.854 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 63.7 t -128.98 -40.0 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.127 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 32.0 p -119.98 -47.02 2.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 132.51 -40.76 1.57 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.523 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 80' ' ' LYS . 21.4 t0 -52.38 155.65 2.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.896 0.379 . . . . 0.0 110.815 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 79' ' ' ASP . 0.1 OUTLIER -36.25 153.84 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -113.22 126.92 55.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.066 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 11.1 t -55.29 -53.61 53.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . 0.44 ' O ' ' CD2' ' A' ' 85' ' ' HIS . . . 172.99 -156.59 25.01 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.474 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.529 ' CZ ' ' HA2' ' A' ' 87' ' ' GLY . 2.9 t80 -68.46 130.02 41.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.902 0.382 . . . . 0.0 110.891 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.44 ' CD2' ' O ' ' A' ' 83' ' ' GLY . 78.4 m-70 -153.46 117.72 4.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.824 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 59.05 27.88 16.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.529 ' HA2' ' CZ ' ' A' ' 84' ' ' PHE . . . 88.58 -27.03 7.42 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.49 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.533 HG21 HD13 ' A' ' 136' ' ' LEU . 8.6 p -108.07 137.95 37.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.887 0.375 . . . . 0.0 111.109 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 64.9 m80 -74.87 97.56 3.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -115.41 171.73 7.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.06 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 14.8 p -101.21 169.37 8.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -51.32 -54.09 29.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -45.86 -71.67 0.48 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.497 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 56.3 m -53.14 -45.32 68.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.892 0.377 . . . . 0.0 110.849 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 27.9 ttmt -41.87 -59.11 1.8 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -57.29 -49.95 68.56 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.482 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.505 ' CE1' ' HD3' ' A' ' 129' ' ' ARG . 69.6 t80 -47.78 -68.58 0.17 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.843 0.354 . . . . 0.0 110.856 -179.818 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.577 ' CZ ' ' HB3' ' A' ' 138' ' ' MET . 87.1 t80 -43.3 -68.69 0.18 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.881 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 102' ' ' ILE . 0.0 OUTLIER -37.61 -63.03 0.48 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.921 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 20.5 ttt-85 -39.38 -46.43 1.63 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 22.3 m -59.92 -39.15 84.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.124 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.435 ' N ' ' O ' ' A' ' 99' ' ' ARG . 33.6 mm -71.98 -64.13 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.13 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 6.8 ptt180 -49.8 -34.17 18.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.886 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 66.7 mtp -91.26 -12.23 35.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.863 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 41.1 mtmt 51.79 46.14 27.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 42.6 mt -80.25 165.28 22.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.946 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -141.46 137.97 32.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.483 ' CE1' ' HB3' ' A' ' 126' ' ' GLN . 31.0 m-85 -113.8 155.65 25.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -72.66 138.5 46.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.89 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 2.5 ttmp? -49.93 117.01 2.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 18.3 t -104.45 93.15 4.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.939 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -61.48 -35.38 77.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.884 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 35.9 mtt180 -46.23 -21.03 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.4 m 46.18 49.89 12.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 13.8 m -42.89 163.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.874 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 4.9 mmmm -112.11 113.03 25.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.892 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 9.5 mm -70.68 103.19 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.129 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -97.81 178.24 5.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.933 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 37.8 pttt -84.33 -17.09 40.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 48.1 tttt -85.17 -43.82 13.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 53.4 m-20 -114.88 55.32 0.76 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.877 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 23.1 mtt85 -51.5 -22.99 3.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 12.4 p-10 -114.26 53.61 0.79 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.844 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -87.34 -59.95 2.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 34.0 t -115.11 143.71 44.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . 0.483 ' HB3' ' CE1' ' A' ' 108' ' ' TYR . 19.8 mt-30 -84.63 -40.69 17.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . 0.48 ' CE2' ' HG3' ' A' ' 131' ' ' GLN . 61.6 t80 -72.23 -70.81 0.32 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . 0.419 ' C ' ' O ' ' A' ' 127' ' ' TYR . 98.1 m -36.6 -53.88 0.88 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.931 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.505 ' HD3' ' CE1' ' A' ' 97' ' ' PHE . 39.6 ttt180 -46.55 -56.47 5.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 27.5 t80 -59.32 -46.2 89.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . 0.48 ' HG3' ' CE2' ' A' ' 127' ' ' TYR . 12.5 mm100 -54.07 -58.51 7.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.836 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 42.0 tttt -39.92 -50.51 2.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 33.6 m -53.33 -54.07 41.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.927 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.402 HD12 ' HA ' ' A' ' 131' ' ' GLN . 35.5 mt -50.03 -45.71 52.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.916 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -60.2 -41.24 92.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.109 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.533 HD13 HG21 ' A' ' 88' ' ' VAL . 77.9 mt -59.92 -29.15 68.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 107.73 31.1 3.77 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.48 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' MET . . . . . 0.577 ' HB3' ' CZ ' ' A' ' 98' ' ' PHE . 7.1 mtt -71.27 121.99 19.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.799 0.333 . . . . 0.0 110.888 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 34.5 p -85.02 162.05 19.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 9.8 p80 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.815 -180.0 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.888 0.375 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 45.9 t -43.15 138.38 2.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 23.4 mmt85 -97.86 23.27 8.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.811 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 96.5 t -125.72 -42.06 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.126 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 29.1 p -115.37 -46.57 2.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 130.76 -31.34 3.24 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.476 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 80' ' ' LYS . 17.3 t70 -56.81 150.43 16.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.896 0.379 . . . . 0.0 110.922 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 79' ' ' ASP . 16.9 pttm -37.15 135.4 0.5 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -82.55 130.88 35.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.058 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 5.3 t -70.64 -50.5 36.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.832 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -170.33 -178.89 41.47 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.482 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -85.31 93.6 8.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.91 0.386 . . . . 0.0 110.873 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.524 ' CG ' ' HD3' ' A' ' 95' ' ' LYS . 22.8 m-70 -115.89 138.56 51.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 62.32 25.24 15.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 72.19 11.85 75.58 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.463 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.6 HG21 HD13 ' A' ' 136' ' ' LEU . 11.5 p -137.08 146.2 28.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.899 0.381 . . . . 0.0 111.166 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 50.7 m80 -77.68 92.55 4.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.841 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -117.61 166.05 12.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.135 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 26.4 p -100.08 172.44 7.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -59.98 -21.85 61.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -77.81 -72.92 1.11 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.454 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 62.5 m -48.68 -20.54 0.47 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.901 0.381 . . . . 0.0 110.89 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.524 ' HD3' ' CG ' ' A' ' 85' ' ' HIS . 2.7 mtmp? -70.64 -59.04 3.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -52.05 -37.55 45.74 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.504 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -61.04 -61.9 2.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.934 0.397 . . . . 0.0 110.929 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -48.99 -68.77 0.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.929 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 27.7 ttp180 -39.91 -49.06 2.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 15.5 ttp180 -58.04 -58.06 10.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 49.1 m -50.32 -20.74 1.16 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.146 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.427 HG21 ' CD2' ' A' ' 140' ' ' HIS . 45.8 mm -86.7 -63.26 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.119 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.437 ' HD2' ' CG ' ' A' ' 104' ' ' MET . 0.2 OUTLIER -60.68 -21.09 62.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.834 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . 0.437 ' CG ' ' HD2' ' A' ' 103' ' ' ARG . 33.2 mtp -96.33 -10.12 28.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.35 42.27 28.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 36.0 mt -79.87 147.36 31.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.439 ' O ' ' CD1' ' A' ' 108' ' ' TYR . 4.7 pt-20 -130.08 163.41 26.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.439 ' CD1' ' O ' ' A' ' 107' ' ' GLU . 40.3 m-85 -149.96 179.1 8.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.929 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -85.98 139.21 31.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.908 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.431 ' HA ' ' CE2' ' A' ' 127' ' ' TYR . 34.8 ttpt -57.36 143.98 37.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.94 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 9.3 t -132.14 107.75 8.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 114' ' ' SER . 5.2 mm-40 -80.02 -36.08 36.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 62.1 mtp180 -39.8 -28.35 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.829 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 115' ' ' CYS . 8.0 t 61.4 44.07 9.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.817 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' CYS . . . . . 0.446 ' C ' ' O ' ' A' ' 114' ' ' SER . 38.8 m -34.48 132.63 0.28 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 10.9 pttm -85.17 88.11 7.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.495 HD12 ' HA ' ' A' ' 129' ' ' ARG . 2.0 mt -66.88 111.02 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -119.09 166.97 12.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.908 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 22.2 pttm -54.14 -39.63 66.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 10.9 mmtp -59.35 -53.37 58.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.882 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -123.46 86.73 2.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 65.4 mtp180 -87.73 -37.35 16.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -87.81 48.47 1.65 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.857 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 6.8 tmtt? -95.21 -61.4 1.48 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.928 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 50.3 t -118.13 144.02 46.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 4.8 mp0 -86.68 -61.53 1.71 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.886 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . 0.431 ' CE2' ' HA ' ' A' ' 110' ' ' LYS . 19.0 t80 -48.06 -63.53 1.04 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.931 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 33.8 m -42.75 -47.09 5.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.905 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.495 ' HA ' HD12 ' A' ' 117' ' ' ILE . 28.4 ttt180 -52.07 -64.43 0.82 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.791 ' CE2' HD11 ' A' ' 134' ' ' LEU . 60.1 t80 -54.63 -46.99 73.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 50.1 mm-40 -51.92 -54.13 33.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.912 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 48.6 tttt -44.6 -46.96 10.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 9.2 m -55.46 -56.23 22.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.833 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.791 HD11 ' CE2' ' A' ' 130' ' ' PHE . 13.5 mt -57.53 -44.76 85.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -57.77 -41.13 81.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.101 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.6 HD13 HG21 ' A' ' 88' ' ' VAL . 50.1 mt -62.98 -30.41 71.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 121.06 18.67 3.78 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.504 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 6.2 mtt -61.5 105.83 0.57 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.788 0.328 . . . . 0.0 110.858 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 37.1 t -84.85 124.47 31.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.846 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' HIS . . . . . 0.427 ' CD2' HG21 ' A' ' 102' ' ' ILE . 1.6 t-80 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.843 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.903 0.382 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 42.5 t -61.44 135.85 57.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.699 ' O ' HD11 ' A' ' 136' ' ' LEU . 17.1 mmt180 -93.38 24.89 3.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 69.7 t -129.0 -38.14 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.082 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 32.1 p -121.5 -46.67 2.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 129.37 -37.98 2.09 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.467 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -45.92 171.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.874 0.368 . . . . 0.0 110.855 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 10.2 pttp -57.29 142.57 42.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.869 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -87.65 120.26 28.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.086 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 31.4 t -69.99 -52.81 21.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -148.24 -159.95 8.74 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.499 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -120.91 87.78 2.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.867 0.365 . . . . 0.0 110.919 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 54.4 m-70 -105.08 145.52 30.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 60.9 26.93 16.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 61.74 20.2 59.3 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.439 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.538 HG21 ' HB3' ' A' ' 136' ' ' LEU . 4.2 p -137.43 131.13 44.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.87 0.367 . . . . 0.0 111.138 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 11.9 m80 -58.15 91.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -120.17 161.37 21.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.058 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 14.7 p -100.34 168.3 9.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.932 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -54.09 -51.8 63.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.845 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -47.49 -69.78 0.84 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.481 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . 0.43 ' O ' ' C ' ' A' ' 95' ' ' LYS . 64.2 m -55.97 -52.11 65.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.918 0.389 . . . . 0.0 110.895 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 94' ' ' CYS . 47.1 tttt -36.05 -60.3 0.56 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -54.38 -54.87 29.69 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.432 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.4 ' CE1' ' HD3' ' A' ' 129' ' ' ARG . 9.3 t80 -41.24 -51.96 3.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.875 0.369 . . . . 0.0 110.889 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -53.98 -68.75 0.15 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.847 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 8.1 tpt180 -39.24 -50.36 1.95 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 35.4 ttm180 -59.46 -61.37 2.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.873 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 24.6 m -42.36 -25.62 0.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.182 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 26.1 mm -86.25 -65.51 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.14 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.448 ' HG3' ' N ' ' A' ' 104' ' ' MET . 15.2 ptt180 -48.82 -44.13 39.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.867 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . 0.448 ' N ' ' HG3' ' A' ' 103' ' ' ARG . 41.6 mtp -84.57 -6.64 59.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 56.6 mttt 45.97 41.07 7.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 13.6 mt -70.93 125.69 27.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 24.1 pm0 -105.44 164.22 12.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -139.35 176.0 9.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.958 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -86.86 136.77 32.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.411 ' HA ' ' CZ ' ' A' ' 127' ' ' TYR . 13.2 tppt? -45.3 150.35 0.44 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 17.0 t -143.44 118.53 10.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.849 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 113' ' ' ARG . 41.6 mt-10 -92.39 -40.87 10.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.84 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 112' ' ' GLU . 26.5 mmm-85 -37.01 -36.32 0.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.854 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 115' ' ' CYS . 1.1 t 71.57 37.54 1.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.753 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' CYS . . . . . 0.446 ' N ' ' SG ' ' A' ' 128' ' ' CYS . 7.0 m -34.7 148.11 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 48.5 mttt -104.86 120.63 41.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 18.0 mm -72.8 101.64 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.079 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.407 ' O ' ' N ' ' A' ' 122' ' ' ARG . 25.9 tp60 -96.66 142.98 28.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.935 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.404 ' O ' ' NH1' ' A' ' 122' ' ' ARG . 9.8 ptpp? -55.68 -45.1 77.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.27 -50.6 73.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 48.9 m-20 -127.39 66.12 1.31 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.893 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . 0.407 ' N ' ' O ' ' A' ' 118' ' ' GLN . 9.7 ptt-85 -74.61 -26.19 59.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.908 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -83.49 65.65 8.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.849 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 30.3 mttt -118.68 -64.14 1.32 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 19.2 t -114.63 139.34 49.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -87.79 -41.47 13.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.953 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . 0.411 ' CZ ' ' HA ' ' A' ' 110' ' ' LYS . 17.9 t80 -58.18 -68.37 0.26 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.96 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . 0.446 ' SG ' ' N ' ' A' ' 115' ' ' CYS . 89.0 m -47.54 -33.85 6.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.951 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.4 ' HD3' ' CE1' ' A' ' 97' ' ' PHE . 42.7 ttt85 -61.66 -53.18 59.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.923 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -67.65 -45.05 76.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 26.3 mm100 -53.35 -47.09 69.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 34.8 tttt -54.79 -45.67 74.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' CYS . . . . . 0.401 ' HA ' HD12 ' A' ' 136' ' ' LEU . 47.3 m -55.59 -38.85 69.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.894 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 20.8 mt -69.14 -46.14 68.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.959 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -58.07 -26.19 62.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.069 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.699 HD11 ' O ' ' A' ' 75' ' ' ARG . 80.3 mt -73.13 -15.94 61.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 97.15 2.08 59.32 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.506 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 17.4 mtt -41.38 115.46 0.62 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.796 0.332 . . . . 0.0 110.842 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 40.0 p -81.33 74.81 8.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.815 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 33.2 p-80 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.866 179.917 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.674 ' C ' ' HB2' ' A' ' 81' ' ' ALA . 3.2 mt-10 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.922 0.391 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 48.8 t -79.17 153.81 29.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.845 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 24.6 mmm180 -92.99 -31.99 14.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 70.2 t -70.99 -71.45 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.112 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.422 ' SG ' ' N ' ' A' ' 78' ' ' GLY . 23.7 p -85.73 -47.84 9.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.422 ' N ' ' SG ' ' A' ' 77' ' ' CYS . . . 126.73 -37.31 2.44 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.484 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.46 ' O ' ' C ' ' A' ' 80' ' ' LYS . 19.4 t70 -45.15 153.67 0.19 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.836 0.351 . . . . 0.0 110.873 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 79' ' ' ASP . 18.7 ttpt -33.34 134.61 0.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.923 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.674 ' HB2' ' C ' ' A' ' 73' ' ' GLU . . . -87.83 140.2 29.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.132 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 25.9 t -83.67 -48.22 10.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.841 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -158.96 -152.03 6.31 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.451 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.427 ' CZ ' ' O ' ' A' ' 87' ' ' GLY . 3.9 t80 -121.21 90.35 3.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.888 0.375 . . . . 0.0 110.849 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.424 ' O ' HG12 ' A' ' 88' ' ' VAL . 69.2 m-70 -105.79 141.4 37.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.88 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 60.94 33.61 19.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.427 ' O ' ' CZ ' ' A' ' 84' ' ' PHE . . . 60.85 19.31 55.64 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.506 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.424 HG12 ' O ' ' A' ' 85' ' ' HIS . 10.6 p -137.86 142.93 34.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.898 0.38 . . . . 0.0 111.134 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 41.5 m80 -73.87 93.59 2.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.849 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -123.69 165.84 16.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.171 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 19.0 p -101.83 164.74 11.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.871 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -53.94 -55.59 25.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -42.77 -62.52 2.23 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.504 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . 0.411 ' O ' ' C ' ' A' ' 95' ' ' LYS . 75.6 m -53.9 -53.19 56.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.919 0.39 . . . . 0.0 110.885 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 94' ' ' CYS . 5.6 ttpm? -37.52 -62.15 0.55 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.938 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -46.53 -44.7 16.72 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.478 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -60.04 -60.46 3.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.836 0.35 . . . . 0.0 110.831 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -50.72 -66.0 0.46 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 37.2 ttp85 -47.27 -46.62 24.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.84 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 23.7 ttp180 -56.17 -48.56 76.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 61.9 m -61.0 -24.45 66.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.142 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 20.7 mm -86.65 -65.51 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.097 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -50.72 -27.88 7.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 41.9 mtp -97.22 -16.67 20.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.873 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 18.7 mtmt 55.38 47.68 20.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 39.0 mt -84.17 143.8 29.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -105.72 160.39 15.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.894 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 57.5 m-85 -136.32 146.54 46.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -58.48 138.83 56.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.842 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 9.3 tppt? -63.16 119.76 10.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.908 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 42.6 t -115.26 108.68 16.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -74.81 -34.56 62.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 26.2 mtp180 -47.7 -21.69 0.41 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 115' ' ' CYS . 3.8 m 48.13 47.76 18.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 -179.775 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' CYS . . . . . 0.424 ' C ' ' O ' ' A' ' 114' ' ' SER . 9.3 m -36.23 144.92 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.896 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -93.87 113.49 25.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 7.9 mm -74.2 95.87 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.126 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -108.68 147.49 31.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 3.9 pttm -47.17 -51.34 18.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -42.98 -55.01 3.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.864 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -133.62 88.51 2.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -89.28 -34.63 16.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 55.4 t30 -82.41 65.53 7.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 19.5 mttm -116.96 -63.83 1.39 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 15.0 t -114.51 138.05 51.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.882 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -81.82 -53.89 5.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . 0.478 ' CE1' ' HG3' ' A' ' 131' ' ' GLN . 43.1 t80 -51.62 -65.73 0.51 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.923 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 82.7 m -47.19 -44.31 22.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.901 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -54.23 -48.66 70.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.832 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.499 ' CE2' HD11 ' A' ' 134' ' ' LEU . 51.8 t80 -66.04 -49.04 69.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . 0.478 ' HG3' ' CE1' ' A' ' 127' ' ' TYR . 78.2 mm-40 -49.49 -47.19 48.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 27.5 tttp -49.56 -48.52 48.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 87.5 m -53.57 -49.02 68.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.499 HD11 ' CE2' ' A' ' 130' ' ' PHE . 69.1 mt -62.29 -39.01 91.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.879 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -65.4 -40.35 93.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.072 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 70.7 mt -60.0 -25.43 65.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 104.21 22.81 8.45 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.47 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 8.5 mtt -66.67 107.33 2.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.794 0.331 . . . . 0.0 110.868 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 2.9 t -60.49 119.12 7.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.833 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 37.7 p-80 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.877 179.939 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.857 0.361 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 39.7 t -66.98 138.21 57.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.668 ' O ' HD11 ' A' ' 136' ' ' LEU . 1.5 mmp_? -90.62 29.64 1.28 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.502 HG22 ' CD1' ' A' ' 136' ' ' LEU . 87.0 t -134.85 -39.89 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.136 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 31.3 p -125.66 -46.92 1.71 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.885 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 135.84 -35.0 2.2 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.509 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -50.65 151.5 2.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.9 0.381 . . . . 0.0 110.871 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 10.3 ttmm -39.26 137.5 0.74 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.948 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 82' ' ' SER . . . -74.48 83.65 1.99 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.075 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 81' ' ' ALA . 29.4 t -34.96 -52.08 0.54 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.85 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -156.06 -166.26 15.73 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.483 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.462 ' CE2' ' HA2' ' A' ' 87' ' ' GLY . 26.3 t80 -114.74 88.55 2.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.924 0.392 . . . . 0.0 110.905 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 46.6 m-70 -104.73 155.83 18.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.826 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 52.96 26.41 4.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.462 ' HA2' ' CE2' ' A' ' 84' ' ' PHE . . . 63.61 18.08 60.96 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.445 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.545 HG21 ' HB3' ' A' ' 136' ' ' LEU . 7.7 p -135.89 131.05 49.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.857 0.361 . . . . 0.0 111.088 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 11.4 m80 -57.17 99.4 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -133.53 167.4 20.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.049 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 16.7 p -100.01 171.91 7.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.841 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 93' ' ' GLY . 11.1 pt-20 -62.77 -51.13 68.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.413 ' N ' ' HG3' ' A' ' 92' ' ' GLU . . . -45.54 -70.46 0.63 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.445 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . 0.466 ' O ' ' N ' ' A' ' 97' ' ' PHE . 95.4 m -43.54 -56.53 3.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.915 0.388 . . . . 0.0 110.893 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 94' ' ' CYS . 18.2 ttmt -35.23 -55.74 0.62 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -53.72 -39.41 61.27 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.487 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.466 ' N ' ' O ' ' A' ' 94' ' ' CYS . 8.2 t80 -67.07 -50.61 61.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.918 0.39 . . . . 0.0 110.883 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -57.92 -58.77 6.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.82 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 26.2 ttp180 -55.94 -52.95 62.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 18.0 ttt180 -46.52 -51.7 14.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 99.6 m -57.71 -31.6 66.57 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.134 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 30.6 mm -79.73 -65.63 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -49.53 -34.96 18.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 76.5 mtp -89.03 -19.0 26.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 17.4 mmtp 58.72 37.59 25.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 39.9 mt -72.11 139.03 48.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.938 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -102.35 162.97 12.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -137.62 175.26 9.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.935 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -101.66 135.24 43.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.93 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 35.3 ttmt -50.05 115.5 1.44 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 50.0 t -105.23 94.44 5.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 113' ' ' ARG . 36.3 mt-10 -62.44 -44.72 95.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 112' ' ' GLU . 0.1 OUTLIER -35.79 -45.31 0.38 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 -179.937 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.7 t 73.0 46.56 0.23 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' CYS . . . . . 0.451 ' N ' ' SG ' ' A' ' 128' ' ' CYS . 8.2 m -39.56 142.61 0.28 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.845 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 15.1 ttmt -91.15 110.27 21.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.872 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 14.0 mm -67.4 121.61 16.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -121.97 168.16 12.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 3.9 pttp -74.5 -23.13 58.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.939 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -78.19 -49.93 12.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -124.21 74.5 1.31 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 30.3 ptt180 -80.96 -35.92 31.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 5.7 p-10 -85.08 44.95 1.12 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 16.5 tptp -95.15 -59.73 1.83 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.901 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 17.3 t -117.34 129.11 55.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.937 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 19.8 mp0 -75.93 -44.42 40.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -59.56 -66.91 0.44 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . 0.451 ' SG ' ' N ' ' A' ' 115' ' ' CYS . 67.7 m -44.59 -58.15 3.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.873 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.421 ' HG2' ' CE1' ' A' ' 97' ' ' PHE . 3.0 tpp85 -41.03 -57.28 2.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.906 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -55.94 -54.01 49.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.871 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . 0.441 ' OE1' HD12 ' A' ' 134' ' ' LEU . 10.2 mm100 -42.13 -49.19 4.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 44.6 tttt -48.11 -48.1 34.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' CYS . . . . . 0.428 ' O ' ' N ' ' A' ' 136' ' ' LEU . 81.3 m -54.57 -60.37 3.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.837 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.441 HD12 ' OE1' ' A' ' 131' ' ' GLN . 98.7 mt -42.23 -36.74 1.29 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -74.88 -36.43 62.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.073 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.668 HD11 ' O ' ' A' ' 75' ' ' ARG . 37.9 mt -61.19 -24.24 66.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 92.98 27.59 13.55 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.475 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 28.3 mtt -63.1 172.19 1.93 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.781 0.324 . . . . 0.0 110.898 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 4.1 m -125.86 102.08 7.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 2.4 p-80 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.846 -179.998 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.946 0.403 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 44.6 t -54.28 128.87 33.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.918 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.62 ' O ' HD11 ' A' ' 136' ' ' LEU . 24.2 mmt180 -86.9 24.08 1.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.832 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 96.8 t -125.17 -47.11 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.138 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 26.8 p -110.56 -48.12 3.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.895 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 132.35 -34.69 2.47 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.503 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -48.92 176.6 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.835 0.35 . . . . 0.0 110.898 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 14.8 tptm -73.25 119.25 17.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -55.76 164.25 1.17 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.077 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 31.0 t -120.0 -46.72 2.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.805 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -150.54 148.82 20.42 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.549 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -76.65 87.99 3.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.878 0.37 . . . . 0.0 110.869 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 69.3 m-70 -107.08 153.61 22.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.846 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.486 ' HB2' HG12 ' A' ' 88' ' ' VAL . 22.4 m-85 51.73 32.15 9.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.878 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 57.92 20.93 43.08 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.486 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.755 HG11 ' HG2' ' A' ' 138' ' ' MET . 6.2 p -138.0 135.68 45.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.84 0.353 . . . . 0.0 111.12 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 21.7 m80 -65.63 92.37 0.14 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -119.02 167.72 11.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.045 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 20.2 p -101.67 179.21 4.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -64.16 -49.9 70.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -53.5 -72.72 0.49 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.519 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 90.3 m -40.53 -53.63 2.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.902 0.382 . . . . 0.0 110.9 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 57.5 tttp -38.44 -59.28 0.92 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -52.25 -43.91 57.41 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.457 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.555 ' CZ ' ' HD3' ' A' ' 129' ' ' ARG . 83.4 t80 -56.1 -63.21 1.26 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.831 0.348 . . . . 0.0 110.86 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -45.99 -65.8 0.49 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.413 ' O ' ' N ' ' A' ' 102' ' ' ILE . 35.1 ttt-85 -47.37 -60.35 2.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.822 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 39.4 ttm180 -39.32 -54.39 1.86 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.514 HG23 ' HB2' ' A' ' 106' ' ' LEU . 42.9 m -55.28 -36.95 66.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.135 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.413 ' N ' ' O ' ' A' ' 99' ' ' ARG . 44.9 mm -70.61 -63.69 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.092 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -54.94 -31.12 60.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 58.8 mtp -93.69 -18.6 21.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' A' ' 101' ' ' THR . 20.5 mmmt 56.97 47.26 17.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.514 ' HB2' HG23 ' A' ' 101' ' ' THR . 28.5 mt -73.44 136.22 44.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.933 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -100.36 153.93 18.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.404 ' CE1' ' HB3' ' A' ' 126' ' ' GLN . 22.2 m-85 -135.58 178.28 7.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -111.3 139.58 46.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.921 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 1.3 ttmp? -54.89 105.08 0.14 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 12.3 t -92.43 97.16 10.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 114' ' ' SER . 20.6 mm-40 -63.84 -41.99 97.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 52.2 mtt180 -39.37 -27.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.848 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 112' ' ' GLU . 4.0 m 54.75 45.99 25.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 -179.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 5.6 m -42.16 147.16 0.25 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.861 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -91.76 111.72 23.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 50.0 mm -67.16 87.67 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.148 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -84.81 152.7 23.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.944 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.462 ' HG3' ' N ' ' A' ' 120' ' ' LYS . 12.0 pttm -63.29 -40.11 96.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.462 ' N ' ' HG3' ' A' ' 119' ' ' LYS . 5.4 mtpm? -55.37 -53.01 61.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -119.6 88.28 2.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.87 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 92.8 mtm-85 -79.38 -40.64 29.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.842 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 35.7 m120 -81.97 44.31 0.83 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 26.8 tptt -90.24 -57.73 2.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 11.9 t -118.39 142.9 47.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.878 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . 0.404 ' HB3' ' CE1' ' A' ' 108' ' ' TYR . 46.9 mt-30 -86.71 -47.06 9.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . 0.467 ' CE2' ' HG3' ' A' ' 131' ' ' GLN . 55.6 t80 -66.78 -67.9 0.42 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.953 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 95.8 m -42.01 -42.74 2.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.883 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.555 ' HD3' ' CZ ' ' A' ' 97' ' ' PHE . 58.2 ttt180 -57.02 -63.29 1.26 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.457 ' HE2' HD11 ' A' ' 134' ' ' LEU . 63.0 t80 -55.5 -45.17 77.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . 0.467 ' HG3' ' CE2' ' A' ' 127' ' ' TYR . 17.4 mm-40 -48.3 -54.8 12.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 28.2 tttp -46.57 -48.52 19.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.932 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 69.7 m -52.5 -57.73 8.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.457 HD11 ' HE2' ' A' ' 130' ' ' PHE . 83.7 mt -47.46 -45.07 25.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.92 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -55.88 -44.62 78.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.106 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.62 HD11 ' O ' ' A' ' 75' ' ' ARG . 24.0 mt -60.99 -29.87 69.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 99.49 35.07 4.8 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.492 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' MET . . . . . 0.755 ' HG2' HG11 ' A' ' 88' ' ' VAL . 23.4 mtp -66.6 99.09 0.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.772 0.32 . . . . 0.0 110.919 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 19.2 m -44.75 107.18 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.835 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 26.8 p-80 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.846 179.988 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.871 0.367 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . 0.528 ' O ' ' N ' ' A' ' 78' ' ' GLY . 22.3 t -72.7 110.07 6.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 35.4 mtt-85 -49.32 -35.15 17.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.423 ' HB ' ' SG ' ' A' ' 74' ' ' CYS . 5.2 t -61.84 -71.67 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.15 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.832 ' HA ' HG22 ' A' ' 117' ' ' ILE . 28.7 p -98.7 -45.28 6.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.836 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.528 ' N ' ' O ' ' A' ' 74' ' ' CYS . . . 125.43 -32.37 3.93 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.5 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -44.32 159.61 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.898 0.38 . . . . 0.0 110.861 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -42.45 127.66 3.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -75.01 152.52 38.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.112 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 19.2 m -104.39 -43.89 5.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -165.45 170.22 40.25 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.446 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.448 ' CE2' ' HA2' ' A' ' 87' ' ' GLY . 6.5 t80 -87.71 89.18 7.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.905 0.383 . . . . 0.0 110.884 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 65.8 m-70 -110.45 132.78 53.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 69.16 29.64 4.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.95 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.448 ' HA2' ' CE2' ' A' ' 84' ' ' PHE . . . 64.05 12.66 50.22 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.525 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 7.2 p -134.32 140.21 46.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.866 0.365 . . . . 0.0 111.119 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 9.1 m80 -71.61 100.21 2.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -120.38 161.03 21.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.107 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 16.4 p -101.2 155.81 17.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -47.46 -46.13 26.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.912 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -53.5 -42.48 65.91 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.458 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 60.9 m -79.1 -57.29 3.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.879 0.371 . . . . 0.0 110.849 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -40.19 -53.67 2.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -57.0 -37.91 82.11 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.494 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.475 ' CD2' ' HG2' ' A' ' 129' ' ' ARG . 4.1 t80 -65.01 -63.25 1.15 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.915 0.388 . . . . 0.0 110.931 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.45 ' N ' ' CD2' ' A' ' 97' ' ' PHE . 42.8 t80 -49.06 -56.93 7.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.889 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 27.5 ttm180 -53.37 -53.48 50.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 30.0 ttp180 -50.96 -46.14 61.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.825 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 24.4 m -61.93 -29.13 70.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.14 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 30.8 mm -79.54 -62.9 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.121 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 1.6 ptp180 -54.0 -25.12 19.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 36.6 mtp -102.29 -9.13 20.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 56.8 mttp 47.49 45.04 17.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 37.1 mt -79.96 176.78 9.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.937 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -146.29 155.18 42.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.942 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.417 ' CE2' ' HB3' ' A' ' 126' ' ' GLN . 46.4 m-85 -132.52 134.76 45.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -47.52 131.92 13.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 22.9 ttpt -51.86 115.59 1.74 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 42.8 t -94.78 96.8 9.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -62.43 -31.91 72.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 6.2 mpt_? -52.84 -21.37 4.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.8 m 46.3 47.69 13.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.839 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' CYS . . . . . 0.433 ' N ' ' SG ' ' A' ' 128' ' ' CYS . 17.7 m -42.45 157.2 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 17.0 mtpp -103.78 113.12 26.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.935 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.832 HG22 ' HA ' ' A' ' 77' ' ' CYS . 23.6 mm -63.26 93.6 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.107 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -101.81 144.81 30.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 26.0 ttpt -54.59 -43.13 71.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.476 ' O ' ' CG ' ' A' ' 121' ' ' ASN . 0.0 OUTLIER -58.38 -37.96 76.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 179.901 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . 0.476 ' CG ' ' O ' ' A' ' 120' ' ' LYS . 13.6 m120 -170.82 121.39 0.57 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 6.3 mpt_? -72.14 1.6 7.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . 0.424 ' O ' ' C ' ' A' ' 124' ' ' LYS . 7.8 t-20 75.08 36.09 0.56 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 123' ' ' ASN . 7.5 mtmp? 35.35 37.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 2.7 t -109.57 126.58 53.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . 0.417 ' HB3' ' CE2' ' A' ' 108' ' ' TYR . 2.9 mp0 -85.92 -43.98 12.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . 0.463 ' CE2' ' HG3' ' A' ' 131' ' ' GLN . 64.6 t80 -58.57 -66.82 0.43 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . 0.433 ' SG ' ' N ' ' A' ' 115' ' ' CYS . 61.6 m -43.59 -32.74 1.0 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.475 ' HG2' ' CD2' ' A' ' 97' ' ' PHE . 7.7 tpp85 -66.49 -44.34 82.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.851 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -68.91 -44.08 73.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . 0.463 ' HG3' ' CE2' ' A' ' 127' ' ' TYR . 53.8 mm-40 -50.8 -55.46 16.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 45.7 tttt -52.46 -56.94 11.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.917 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 51.7 m -42.8 -42.63 3.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 98.4 mt -67.48 -42.58 82.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.949 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -65.12 -35.95 82.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.088 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 72.4 mt -60.6 -27.25 67.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 109.3 6.69 29.23 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.442 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 9.3 mtt -53.14 115.32 1.82 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.823 0.344 . . . . 0.0 110.894 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 44.0 p -76.73 121.7 23.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.87 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 51.2 p-80 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 179.969 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.559 ' C ' ' HB2' ' A' ' 81' ' ' ALA . 13.2 pt-20 . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.88 0.371 . . . . 0.0 110.931 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 42.2 t -58.98 150.89 23.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.927 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.483 ' HB3' HD22 ' A' ' 136' ' ' LEU . 24.3 mmm180 -100.43 -29.41 12.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 36.2 t -71.38 -62.71 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.12 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 14.8 p -97.97 -40.87 8.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.903 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 79' ' ' ASP . . . 122.24 -42.18 1.69 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.441 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.441 ' O ' ' C ' ' A' ' 80' ' ' LYS . 9.5 t70 -36.8 152.04 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.856 0.36 . . . . 0.0 110.843 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 79' ' ' ASP . 13.2 ptmt -33.99 141.87 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.559 ' HB2' ' C ' ' A' ' 73' ' ' GLU . . . -91.94 122.14 34.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.132 179.82 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.0 t -73.66 -43.73 58.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 -179.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -158.67 -165.55 16.06 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.51 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -117.24 90.46 3.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.839 0.352 . . . . 0.0 110.896 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 56.3 m-70 -107.65 144.42 34.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 61.2 29.74 18.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.954 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 59.76 19.77 50.44 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.483 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.555 HG21 ' HB3' ' A' ' 136' ' ' LEU . 7.7 p -139.8 129.75 29.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.893 0.378 . . . . 0.0 111.113 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 17.7 m80 -58.24 102.43 0.11 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -131.41 153.09 50.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.128 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 17.6 p -92.29 172.98 8.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.845 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -61.21 -52.48 64.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -46.23 -69.58 0.81 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.445 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . 0.417 ' O ' ' C ' ' A' ' 95' ' ' LYS . 93.6 m -47.41 -55.5 8.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.895 0.378 . . . . 0.0 110.886 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 94' ' ' CYS . 6.0 ttpm? -36.92 -59.53 0.69 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -44.02 -44.98 7.59 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.471 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.498 ' CE2' ' HG2' ' A' ' 129' ' ' ARG . 62.3 t80 -61.3 -66.41 0.54 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.932 0.396 . . . . 0.0 110.927 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -48.26 -61.47 1.97 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.936 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 28.0 ttp180 -43.26 -58.94 2.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.853 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 18.9 ttm180 -46.69 -41.75 15.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.472 ' HA ' HD12 ' A' ' 106' ' ' LEU . 26.6 m -67.35 -25.62 66.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.152 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 21.6 mm -83.14 -60.83 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.119 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.402 ' NH1' ' HG3' ' A' ' 104' ' ' MET . 7.3 ptm180 -49.77 -42.82 47.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . 0.459 ' O ' ' C ' ' A' ' 105' ' ' LYS . 25.5 mmm -99.78 11.41 39.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.459 ' C ' ' O ' ' A' ' 104' ' ' MET . 44.7 mmtt 33.79 45.28 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.472 HD12 ' HA ' ' A' ' 101' ' ' THR . 13.1 mt -64.33 126.03 26.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -100.04 158.1 16.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -141.18 175.23 9.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.937 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -96.81 130.99 43.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.517 ' HA ' ' CZ ' ' A' ' 127' ' ' TYR . 63.8 tttt -46.42 133.0 10.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 48.0 t -112.25 102.92 11.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 113' ' ' ARG . 37.2 mt-10 -63.67 -43.95 95.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.917 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.435 ' C ' ' O ' ' A' ' 112' ' ' GLU . 48.7 mtp180 -35.24 -35.57 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.861 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.416 ' N ' ' O ' ' A' ' 112' ' ' GLU . 9.4 t 62.84 45.9 5.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.815 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 4.6 m -47.18 159.28 0.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.839 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 11.9 ptpt -113.21 116.68 30.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.866 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 8.7 mm -74.4 117.5 18.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.195 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 37.3 mm-40 -123.48 159.1 29.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.873 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.449 ' HG3' ' N ' ' A' ' 120' ' ' LYS . 10.6 ptpp? -56.45 -50.38 71.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.449 ' N ' ' HG3' ' A' ' 119' ' ' LYS . 34.0 mmtp -47.81 -54.98 10.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.855 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -124.3 90.38 3.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.842 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 54.7 mtm180 -80.92 -44.63 17.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -80.14 52.34 1.53 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 5.0 mmmm -89.57 -60.12 2.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.934 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 40.2 t -116.97 149.2 40.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -88.28 -40.76 13.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.917 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . 0.517 ' CZ ' ' HA ' ' A' ' 110' ' ' LYS . 33.1 t80 -77.36 -69.94 0.5 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.947 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . 0.409 ' C ' ' O ' ' A' ' 127' ' ' TYR . 90.0 m -36.56 -44.76 0.47 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.886 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.498 ' HG2' ' CE2' ' A' ' 97' ' ' PHE . 40.5 ttt85 -52.29 -57.88 8.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.852 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -57.91 -47.13 83.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 25.0 mm-40 -49.57 -55.61 12.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.942 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 20.0 tttp -41.6 -54.34 3.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.948 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 36.1 m -46.84 -58.65 3.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 66.0 mt -49.95 -44.9 50.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -67.99 -32.22 72.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.089 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.555 ' HB3' HG21 ' A' ' 88' ' ' VAL . 25.8 mt -65.94 -27.81 68.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.947 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 116.63 22.97 4.19 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.451 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 15.7 mtt -75.36 177.02 6.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.807 0.337 . . . . 0.0 110.828 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 3.1 m -156.56 171.56 20.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 21.1 p80 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 179.962 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.401 ' C ' ' HB2' ' A' ' 81' ' ' ALA . 21.0 mt-10 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.858 0.361 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 47.2 t -79.68 130.04 35.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.888 ' O ' HD11 ' A' ' 136' ' ' LEU . 32.0 mmt180 -84.72 27.13 0.76 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.834 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.516 HG22 ' CD1' ' A' ' 136' ' ' LEU . 59.2 t -131.35 -44.23 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.144 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 29.0 p -117.29 -47.56 2.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 131.21 -37.07 2.14 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.501 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -47.71 154.26 0.5 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.826 0.346 . . . . 0.0 110.916 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -44.97 127.85 6.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.401 ' HB2' ' C ' ' A' ' 73' ' ' GLU . . . -68.89 126.58 30.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 179.803 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.9 m -75.2 -49.58 18.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -151.42 -154.6 6.62 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.455 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -127.01 92.82 3.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.889 0.376 . . . . 0.0 110.89 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 60.3 m-70 -111.17 156.47 21.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.864 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.418 ' CE2' ' CD2' ' A' ' 98' ' ' PHE . 10.8 m-85 50.58 27.41 2.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.85 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 59.99 26.53 63.36 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.482 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.795 HG21 ' HB3' ' A' ' 136' ' ' LEU . 9.9 p -142.41 123.98 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.848 0.356 . . . . 0.0 111.154 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 12.8 m80 -52.76 90.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.837 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.412 ' N ' ' O ' ' A' ' 88' ' ' VAL . . . -120.6 169.03 10.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.095 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 15.4 p -105.23 172.15 6.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.854 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -59.45 -53.81 53.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.89 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -43.78 -63.55 2.19 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.513 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . 0.433 ' O ' ' C ' ' A' ' 95' ' ' LYS . 73.3 m -57.95 -53.83 53.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.953 0.406 . . . . 0.0 110.917 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 94' ' ' CYS . 0.6 OUTLIER -35.58 -58.24 0.6 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.874 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -57.12 -42.24 93.07 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.488 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.585 ' CZ ' ' HD3' ' A' ' 129' ' ' ARG . 47.1 t80 -56.15 -57.13 13.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.913 0.387 . . . . 0.0 110.895 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.418 ' CD2' ' CE2' ' A' ' 86' ' ' TYR . 74.5 t80 -49.74 -61.44 2.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.895 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 20.7 ttp180 -53.06 -50.91 63.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.843 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 22.5 ttp180 -50.61 -42.56 56.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.602 HG21 ' CD1' ' A' ' 130' ' ' PHE . 72.8 m -64.82 -34.83 79.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.14 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.541 HG21 ' ND1' ' A' ' 140' ' ' HIS . 28.3 mm -74.78 -66.01 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.094 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.442 ' HG3' ' N ' ' A' ' 104' ' ' MET . 0.4 OUTLIER -40.54 -38.2 0.82 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.876 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . 0.677 ' HE2' HD11 ' A' ' 106' ' ' LEU . 5.8 mtm -91.77 -21.1 20.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 102' ' ' ILE . 7.4 mmmm 62.05 48.17 5.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.677 HD11 ' HE2' ' A' ' 104' ' ' MET . 14.4 mt -75.48 146.54 40.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -120.47 149.85 41.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.89 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -137.41 157.92 45.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.945 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -69.87 167.65 16.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.846 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 11.4 tppt? -82.77 111.64 18.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.899 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 23.0 t -97.5 92.92 6.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -61.86 -38.15 87.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 34.5 mtt85 -38.68 -34.53 0.15 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.892 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 33.9 m 61.61 45.71 7.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 7.6 m -39.69 146.77 0.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 60.8 tttt -95.86 100.81 12.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.894 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 32.9 mm -63.31 97.74 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.178 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 16.9 mm-40 -100.0 -179.34 4.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 43.3 tttm -76.56 -41.94 44.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 74.8 mttt -62.34 -53.04 60.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.961 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -105.61 57.93 0.67 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 17.3 mtm180 -55.24 -53.94 49.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 10.1 p30 -86.9 52.68 2.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 50.3 tttt -84.01 -62.76 1.49 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 48.8 t -116.38 152.36 34.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -87.39 -63.34 1.32 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . 0.403 ' O ' ' N ' ' A' ' 130' ' ' PHE . 53.9 t80 -54.37 -67.15 0.29 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.961 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 20.7 m -38.14 -43.62 0.77 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.851 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.585 ' HD3' ' CZ ' ' A' ' 97' ' ' PHE . 22.8 ttt180 -61.74 -46.11 91.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.776 ' CE2' HD11 ' A' ' 134' ' ' LEU . 81.7 t80 -67.24 -43.2 82.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.947 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -55.62 -50.0 71.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.9 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 61.9 tttt -47.52 -46.06 27.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 9.9 m -57.4 -48.05 80.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.776 HD11 ' CE2' ' A' ' 130' ' ' PHE . 19.7 mt -61.76 -48.73 79.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.92 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -57.89 -41.09 81.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.089 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.888 HD11 ' O ' ' A' ' 75' ' ' ARG . 59.2 mt -57.67 -30.1 65.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 111.45 31.38 2.81 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.484 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 9.1 mtt -74.49 123.8 25.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.747 0.308 . . . . 0.0 110.91 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 27.3 m -87.8 129.8 35.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' HIS . . . . . 0.541 ' ND1' HG21 ' A' ' 102' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.909 0.385 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 33.7 t -42.86 136.25 2.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 21.5 mmt180 -92.05 7.61 41.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.1 t -108.65 -60.72 2.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.104 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 28.6 p -95.34 -42.13 8.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 125.53 -39.25 2.09 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.476 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -46.96 158.01 0.14 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.834 0.35 . . . . 0.0 110.902 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 18.1 ttpt -40.78 138.31 1.03 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -81.64 107.38 14.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.116 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 13.3 t -52.75 -57.91 8.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -149.31 -153.72 6.13 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.527 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.557 ' CE2' ' HA2' ' A' ' 87' ' ' GLY . 25.7 t80 -123.0 88.3 2.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.824 0.345 . . . . 0.0 110.86 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.589 ' CD2' ' HE3' ' A' ' 95' ' ' LYS . 66.1 m-70 -104.55 151.89 23.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.795 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.41 ' HB2' HG12 ' A' ' 88' ' ' VAL . 8.2 m-85 50.62 31.5 5.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.557 ' HA2' ' CE2' ' A' ' 84' ' ' PHE . . . 57.7 26.75 57.97 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.463 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.636 HG21 ' HB3' ' A' ' 136' ' ' LEU . 10.1 p -141.44 125.75 16.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.871 0.367 . . . . 0.0 111.135 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 11.2 m80 -55.42 92.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -124.63 167.21 14.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.092 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 16.7 p -100.31 176.23 5.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -64.37 -45.03 89.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -53.19 -72.45 0.53 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.512 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . 0.409 ' O ' ' C ' ' A' ' 95' ' ' LYS . 78.3 m -44.22 -51.82 7.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.904 0.383 . . . . 0.0 110.876 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.589 ' HE3' ' CD2' ' A' ' 85' ' ' HIS . 10.0 ttmt -37.23 -54.1 1.04 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.925 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -55.76 -40.05 78.87 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.47 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.404 ' N ' ' O ' ' A' ' 94' ' ' CYS . 51.7 t80 -58.53 -55.99 27.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.861 0.363 . . . . 0.0 110.891 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -53.24 -61.42 2.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.913 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 16.3 tpt180 -49.35 -58.82 4.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.83 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 11.3 ttp180 -42.99 -52.12 5.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.894 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.404 HG23 ' HB2' ' A' ' 106' ' ' LEU . 36.3 m -58.11 -34.48 70.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.087 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 48.0 mm -74.71 -64.48 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.136 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 16.8 ptt180 -51.74 -29.83 20.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.839 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 30.6 mtp -93.27 -14.59 26.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 37.1 mttm 55.23 45.11 26.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.404 ' HB2' HG23 ' A' ' 101' ' ' THR . 51.0 mt -79.6 140.22 37.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.584 ' O ' ' CD1' ' A' ' 108' ' ' TYR . 14.3 mm-40 -111.47 168.65 9.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.584 ' CD1' ' O ' ' A' ' 107' ' ' GLU . 38.1 m-85 -151.38 165.37 34.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -91.09 138.23 31.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.908 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.46 ' HA ' ' CE1' ' A' ' 127' ' ' TYR . 13.1 ttmt -51.75 110.65 0.49 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 15.3 t -94.97 95.24 8.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.858 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 113' ' ' ARG . 46.3 mt-10 -52.66 -48.56 66.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.435 ' C ' ' O ' ' A' ' 112' ' ' GLU . 3.5 mmp_? -34.85 -36.18 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.902 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 115' ' ' CYS . 24.1 p 57.87 43.08 22.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.878 -179.796 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' CYS . . . . . 0.488 ' N ' ' SG ' ' A' ' 128' ' ' CYS . 5.3 m -35.54 152.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.848 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 32.3 mtmt -109.6 108.89 19.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.871 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 33.6 mm -62.22 116.9 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.16 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 3.2 tp-100 -125.55 158.71 33.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.908 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 15.0 tptp -54.43 -52.26 62.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 3.5 ttmm -45.44 -48.29 13.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.922 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 -125.99 81.63 2.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 49.6 mtt180 -65.69 -54.5 26.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -88.79 88.8 7.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 11.4 tppt? -123.04 -63.79 1.23 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 23.3 t -115.54 140.62 49.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.883 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -85.2 -46.41 11.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.932 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . 0.46 ' CE1' ' HA ' ' A' ' 110' ' ' LYS . 75.8 t80 -61.17 -59.53 5.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.929 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' CYS . . . . . 0.488 ' SG ' ' N ' ' A' ' 115' ' ' CYS . 99.3 m -52.08 -57.73 8.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.911 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 7.0 tpt180 -39.87 -48.45 2.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.837 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.491 ' HE1' HD11 ' A' ' 134' ' ' LEU . 40.4 t80 -69.32 -56.33 7.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . 0.434 ' HA ' HD12 ' A' ' 134' ' ' LEU . 16.5 mm-40 -44.71 -53.0 7.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.93 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 51.6 tttt -43.4 -51.86 6.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.867 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' CYS . . . . . 0.532 ' HA ' HD12 ' A' ' 136' ' ' LEU . 12.1 m -51.34 -52.76 42.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.858 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.491 HD11 ' HE1' ' A' ' 130' ' ' PHE . 47.7 mt -50.07 -49.21 52.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.13 -38.28 88.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.064 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.636 ' HB3' HG21 ' A' ' 88' ' ' VAL . 59.2 mt -58.99 -29.81 67.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.897 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 118.34 29.27 1.97 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.523 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 6.5 mtt -79.88 176.66 9.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.795 0.331 . . . . 0.0 110.875 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 12.9 t -156.94 147.62 21.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 50.0 p-80 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.856 179.988 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.448 ' O ' ' C ' ' A' ' 66' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 65' ' ' GLY . 84.1 p 34.68 42.09 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.92 0.39 . . . . 0.0 110.857 -179.75 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 89.9 p -93.31 170.32 9.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.839 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -50.2 177.25 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.481 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.8 m -143.63 136.37 27.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.899 0.381 . . . . 0.0 110.847 -179.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 42.7 p -124.2 86.65 2.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.851 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 177.16 -150.42 10.19 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.446 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 9.6 mmt -99.4 144.01 29.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.733 0.301 . . . . 0.0 110.873 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -129.57 143.7 50.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.917 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.416 ' N ' ' HB2' ' A' ' 81' ' ' ALA . 48.4 t -48.46 149.01 1.74 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.836 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 23.4 mmm180 -100.29 -24.02 14.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.891 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 72.1 t -75.0 -59.6 3.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.165 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.414 ' SG ' ' N ' ' A' ' 78' ' ' GLY . 20.1 p -101.46 -45.86 5.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.414 ' N ' ' SG ' ' A' ' 77' ' ' CYS . . . 130.82 -39.57 1.77 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.513 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' ' 80' ' ' LYS . 36.6 t0 -45.06 150.47 0.39 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.884 0.374 . . . . 0.0 110.85 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 79' ' ' ASP . 24.3 mtmt -36.16 133.63 0.46 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.416 ' HB2' ' N ' ' A' ' 74' ' ' CYS . . . -92.47 147.18 23.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.088 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 9.2 t -77.36 -30.62 53.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 156.07 -166.12 32.94 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.454 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.556 ' CZ ' ' HA2' ' A' ' 87' ' ' GLY . 3.4 t80 -66.92 118.05 9.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.888 0.375 . . . . 0.0 110.87 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.477 ' CD2' ' HD3' ' A' ' 95' ' ' LYS . 42.7 m-70 -139.8 110.82 6.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.84 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.425 ' HE1' HD13 ' A' ' 143' ' ' ILE . 64.6 m-85 63.56 31.4 14.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.937 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.556 ' HA2' ' CZ ' ' A' ' 84' ' ' PHE . . . 88.97 -38.45 3.21 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.489 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 8.9 p -98.56 135.91 31.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.875 0.369 . . . . 0.0 111.122 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 49.0 m80 -73.37 91.48 1.74 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -105.49 163.18 12.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.118 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 22.4 p -92.85 173.32 7.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.854 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -56.01 -50.33 71.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -53.25 -70.35 0.95 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.535 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 83.8 m -47.25 -61.94 1.66 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.937 0.399 . . . . 0.0 110.928 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.477 ' HD3' ' CD2' ' A' ' 85' ' ' HIS . 34.6 ttpt -37.67 -56.4 1.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -47.99 -50.51 21.27 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.469 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.507 ' CG ' ' HD3' ' A' ' 129' ' ' ARG . 78.8 t80 -54.67 -56.06 23.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.863 0.363 . . . . 0.0 110.892 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -48.89 -71.51 0.07 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 30.2 ttm180 -41.05 -49.06 3.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 28.7 ttt-85 -53.28 -51.05 63.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.864 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 85.1 m -57.47 -25.98 60.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.107 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.519 HG21 HG13 ' A' ' 143' ' ' ILE . 29.8 mm -84.3 -65.34 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.121 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -50.16 -35.08 24.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.866 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 16.2 mtp -90.17 -18.64 25.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 43.7 mttp 57.43 42.72 24.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 26.6 mt -79.58 143.68 34.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.936 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -107.07 167.57 9.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -147.8 154.42 40.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.939 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -79.69 139.91 37.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.446 ' HA ' ' CZ ' ' A' ' 127' ' ' TYR . 35.7 ttpt -58.17 114.67 2.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 43.8 t -93.93 95.37 9.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 114' ' ' SER . 19.6 mp0 -55.75 -45.38 78.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 40.0 mtt-85 -38.56 -30.27 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 112' ' ' GLU . 46.6 m 54.58 50.38 16.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.841 -179.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 6.0 m -45.41 169.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.893 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 61.6 tttt -121.18 109.33 14.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.837 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 23.4 mm -63.06 111.89 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -126.08 160.92 28.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.925 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 7.1 pttp -59.65 -55.6 32.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.44 ' HG3' ' N ' ' A' ' 121' ' ' ASN . 0.1 OUTLIER -48.32 -39.86 23.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 179.875 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . 0.44 ' N ' ' HG3' ' A' ' 120' ' ' LYS . 24.3 m-80 -132.73 85.15 2.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . 0.436 ' HB2' ' NH1' ' A' ' 122' ' ' ARG . 20.9 mtm105 -89.27 -51.22 5.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 27.6 t30 -79.71 48.98 0.99 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 32.7 tptt -96.31 -64.65 1.03 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 49.2 t -115.03 144.58 43.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -88.35 -64.4 1.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . 0.547 ' CE2' ' HG3' ' A' ' 131' ' ' GLN . 76.2 t80 -44.4 -64.03 0.77 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.982 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 59.2 m -45.03 -46.42 11.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.911 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.507 ' HD3' ' CG ' ' A' ' 97' ' ' PHE . 16.8 ttm180 -53.42 -59.36 4.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -56.96 -39.18 74.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.82 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . 0.547 ' HG3' ' CE2' ' A' ' 127' ' ' TYR . 14.1 mm-40 -61.05 -55.08 36.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.922 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 58.1 tttt -45.31 -43.23 10.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.896 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 57.8 m -57.18 -46.98 82.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.903 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 29.5 mt -64.76 -45.84 84.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -54.88 -43.39 73.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.076 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 34.0 mt -63.03 -29.66 70.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 109.48 41.36 1.37 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.475 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 2.9 mtt -75.39 116.14 15.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.8 0.333 . . . . 0.0 110.878 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 1.6 t -65.91 117.23 8.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 22.0 p-80 -88.66 -27.06 21.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.859 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -85.45 39.58 0.79 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.836 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -127.33 -27.13 2.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.103 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' ILE . . . . . 0.519 HG13 HG21 ' A' ' 102' ' ' ILE . 26.6 mm -44.23 -41.66 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.151 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 18.2 tpt85 -76.06 84.93 2.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' PHE . . . . . . . . . . . . . 38.6 t80 -157.99 115.25 2.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 49.76 81.64 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.477 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 28.6 p -131.61 155.09 48.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.899 0.38 . . . . 0.0 110.889 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -61.55 145.83 48.68 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.488 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 109.83 2.41 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.708 2.272 . . . . 0.0 112.377 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 64.9 m -115.87 152.49 33.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.828 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 80.0 p -41.32 108.04 0.08 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.832 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.469 -179.968 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.501 -0.239 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 37.2 m -137.62 154.48 49.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.87 0.367 . . . . 0.0 110.885 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.0 m -101.2 41.75 1.17 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.801 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 145.03 -157.82 27.45 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.485 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 67.0 p -66.99 162.08 22.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.807 0.337 . . . . 0.0 110.878 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 36.1 t -88.77 142.91 27.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.814 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -138.52 -138.74 3.73 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.505 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 3.6 mpp? -41.38 128.33 3.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.748 0.309 . . . . 0.0 110.862 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -144.33 126.39 15.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.906 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 19.6 t -45.11 149.39 0.48 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.88 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 38.0 mmt-85 -99.82 -29.46 12.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 59.2 t -68.45 -50.69 54.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.097 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 30.6 p -104.21 -46.83 4.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.825 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 122.98 -33.52 4.03 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.506 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -49.45 173.18 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.943 0.401 . . . . 0.0 110.836 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 5.9 ttmt -66.86 112.32 4.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.89 176.1 0.33 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.126 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 53.3 p -123.42 -41.71 2.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.811 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -149.52 170.82 29.71 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.449 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.498 ' CE2' ' HA2' ' A' ' 87' ' ' GLY . 9.8 t80 -99.88 89.12 3.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.929 0.395 . . . . 0.0 110.912 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 24.9 m-70 -105.94 143.8 33.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.848 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 60.45 26.51 16.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.896 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.498 ' HA2' ' CE2' ' A' ' 84' ' ' PHE . . . 63.18 22.29 64.96 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.463 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.43 ' O ' HG13 ' A' ' 88' ' ' VAL . 12.0 p -139.05 125.57 24.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.827 0.346 . . . . 0.0 111.174 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 35.0 m80 -56.64 96.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.89 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -122.01 156.77 32.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.065 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 17.9 p -96.8 156.36 16.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.482 ' HG3' ' N ' ' A' ' 93' ' ' GLY . 11.6 pt-20 -41.85 -44.84 3.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.482 ' N ' ' HG3' ' A' ' 92' ' ' GLU . . . -55.93 -72.54 0.55 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.538 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . 0.436 ' O ' ' C ' ' A' ' 95' ' ' LYS . 67.4 m -52.9 -56.35 16.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.863 0.363 . . . . 0.0 110.846 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 94' ' ' CYS . 0.7 OUTLIER -35.42 -51.73 0.61 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -61.12 -48.06 87.88 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.491 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -44.77 -65.9 0.47 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.926 0.393 . . . . 0.0 110.899 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -41.0 -66.24 0.35 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.839 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 23.9 ttm180 -46.23 -60.48 2.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.841 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 41.3 ttm-85 -39.91 -51.57 2.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.519 HG21 ' CD2' ' A' ' 130' ' ' PHE . 38.9 m -56.8 -39.19 73.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.164 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 21.6 mm -71.43 -58.5 5.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.132 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 2.6 ptp180 -57.6 -30.22 65.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.864 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 39.3 mtp -104.05 0.86 30.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.466 ' N ' ' O ' ' A' ' 101' ' ' THR . 0.1 OUTLIER 41.65 35.12 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.92 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 22.6 mt -57.61 126.68 28.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.926 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -99.09 134.73 41.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -115.91 168.94 9.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.919 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -89.98 130.13 36.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.89 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.504 ' HA ' ' CE2' ' A' ' 127' ' ' TYR . 28.1 tttp -48.69 124.17 7.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.879 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 30.0 t -117.88 98.36 6.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.446 ' O ' ' C ' ' A' ' 113' ' ' ARG . 9.8 mt-10 -64.68 -42.04 95.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.446 ' C ' ' O ' ' A' ' 112' ' ' GLU . 86.8 mtm-85 -34.58 -43.04 0.16 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 115' ' ' CYS . 7.6 t 72.8 39.77 0.64 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 -179.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . 0.411 ' C ' ' O ' ' A' ' 114' ' ' SER . 7.2 m -37.04 149.01 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.849 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 1.3 mmmm -103.31 110.84 22.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 9.9 mm -64.15 107.57 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.089 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 21.4 mm-40 -110.99 165.98 11.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.954 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 26.1 ttpp -60.64 -50.14 74.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 32.8 mmtm -58.74 -50.25 74.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 -117.46 80.08 1.44 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 30.4 ptt180 -88.74 -41.38 12.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 43.9 m-20 -88.89 39.84 0.95 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 44.7 tptt -82.26 -65.88 0.96 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 20.4 t -112.49 131.94 55.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -77.83 -54.91 5.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.921 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . 0.504 ' CE2' ' HA ' ' A' ' 110' ' ' LYS . 38.0 t80 -50.3 -65.6 0.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 59.2 m -46.51 -48.82 19.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.915 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 53.0 ttt180 -46.11 -44.46 15.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.519 ' CD2' HG21 ' A' ' 101' ' ' THR . 23.9 t80 -71.49 -52.31 19.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 21.1 mm100 -46.2 -52.21 12.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.935 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 32.1 tttp -44.75 -50.64 9.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 99.5 m -48.83 -54.54 14.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.896 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 93.4 mt -49.1 -52.42 26.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -57.67 -41.96 82.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.149 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 75.8 mt -58.32 -27.6 64.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 107.37 29.44 4.49 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.477 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 9.3 mtt -75.65 116.52 16.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.793 0.33 . . . . 0.0 110.867 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 17.7 m -73.56 106.08 5.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 35.6 p-80 -71.61 -41.0 69.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.847 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -79.58 44.54 0.62 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -124.19 -33.04 3.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.148 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' ILE . . . . . . . . . . . . . 22.6 mt -57.1 115.81 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.128 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 11.8 tpp180 -65.69 138.85 58.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.839 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -67.3 125.43 26.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -93.3 63.07 2.04 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.455 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 35.7 t -70.52 118.08 12.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.911 0.386 . . . . 0.0 110.853 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -53.21 165.86 1.66 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.483 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 88.67 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.674 2.249 . . . . 0.0 112.351 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 56.2 m 59.23 41.58 19.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 18.9 m -100.14 155.62 17.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.817 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.503 179.982 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 12.6 t -81.61 120.41 25.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.847 0.356 . . . . 0.0 110.869 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 68.8 m -38.64 -47.9 1.39 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.886 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 125.29 -80.72 0.36 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.48 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.1 t -89.23 102.15 14.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.861 0.362 . . . . 0.0 110.89 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 37.7 t -84.04 98.9 10.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.846 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 139.98 159.09 7.84 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.476 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.453 ' O ' ' N ' ' A' ' 81' ' ' ALA . 18.3 mtm 60.06 51.72 5.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.789 0.328 . . . . 0.0 110.875 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 74' ' ' CYS . 6.2 pt-20 -102.84 119.97 39.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.404 ' C ' ' O ' ' A' ' 73' ' ' GLU . 22.7 t -37.99 145.3 0.07 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.889 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 38.5 mmm-85 -96.55 -13.78 22.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 93.6 t -86.06 -56.71 5.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.114 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 31.5 p -96.89 -43.59 7.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 120.3 -30.03 5.74 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.502 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -51.19 174.73 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.92 0.39 . . . . 0.0 110.847 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 10.3 ttpt -69.19 110.75 4.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 72' ' ' MET . . . -54.98 178.6 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.08 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.9 m -119.58 -33.11 4.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.874 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -166.5 -151.22 6.7 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.483 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.482 ' CZ ' ' HA2' ' A' ' 87' ' ' GLY . 2.2 t80 -122.44 119.37 30.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.889 0.376 . . . . 0.0 110.866 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.413 ' CG ' ' HE2' ' A' ' 95' ' ' LYS . 33.5 m-70 -145.87 150.29 35.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.818 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 53.9 35.48 21.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.482 ' HA2' ' CZ ' ' A' ' 84' ' ' PHE . . . 58.05 12.56 11.74 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.449 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 11.0 p -137.62 131.99 44.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.902 0.382 . . . . 0.0 111.084 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 46.6 m80 -64.83 96.53 0.19 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.836 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -115.83 158.0 23.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.093 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 15.5 p -94.8 161.65 14.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.838 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -47.34 -57.37 5.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.9 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -45.63 -72.6 0.36 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.447 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . 0.413 ' O ' ' C ' ' A' ' 95' ' ' LYS . 92.7 m -45.06 -52.67 8.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.872 0.367 . . . . 0.0 110.87 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.413 ' HE2' ' CG ' ' A' ' 85' ' ' HIS . 40.6 tttm -36.75 -57.76 0.78 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -54.45 -46.27 73.53 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.497 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -51.97 -67.73 0.23 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.871 0.367 . . . . 0.0 110.867 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.448 ' CZ ' ' HB3' ' A' ' 138' ' ' MET . 69.6 t80 -43.27 -66.59 0.36 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 66.7 ttt-85 -44.06 -61.64 1.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 17.8 ttp180 -46.16 -49.29 17.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 61.1 m -55.79 -27.81 52.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.123 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 47.4 mm -82.37 -61.2 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.164 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.464 ' HD3' ' CG ' ' A' ' 104' ' ' MET . 0.4 OUTLIER -56.54 -23.63 41.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 179.94 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . 0.464 ' CG ' ' HD3' ' A' ' 103' ' ' ARG . 13.1 mtp -97.89 -5.05 35.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.405 ' HG2' ' C ' ' A' ' 104' ' ' MET . 0.4 OUTLIER 40.37 37.9 0.49 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.905 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.409 ' HG ' ' CB ' ' A' ' 104' ' ' MET . 11.3 mt -67.42 134.77 52.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 55.4 tt0 -95.3 147.91 22.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -128.33 168.63 15.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.877 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -96.13 137.55 35.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.937 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 44.4 tttm -56.46 123.59 15.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 38.2 t -115.43 99.93 7.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.899 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -66.11 -37.56 86.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 73.8 mtt180 -45.05 -24.0 0.2 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.856 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 115' ' ' CYS . 54.1 m 48.38 45.3 20.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.753 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . 0.402 ' C ' ' O ' ' A' ' 114' ' ' SER . 8.5 m -37.51 154.05 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.862 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 24.2 tttp -100.83 113.47 26.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.915 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 9.7 mm -71.01 95.15 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.082 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -97.58 161.14 13.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 13.7 ptpt -62.22 -33.66 75.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 9.6 ptmt -90.27 -26.77 19.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.944 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . 0.431 ' ND2' ' HD2' ' A' ' 124' ' ' LYS . 10.5 m120 -118.99 53.35 1.01 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . 0.437 ' HG3' ' N ' ' A' ' 123' ' ' ASN . 36.1 ptt180 -85.37 -43.15 13.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . 0.437 ' N ' ' HG3' ' A' ' 122' ' ' ARG . 23.2 m120 -83.88 53.44 2.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.905 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.431 ' HD2' ' ND2' ' A' ' 121' ' ' ASN . 16.5 mtpt -113.11 -64.12 1.35 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.93 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 48.3 t -112.39 136.41 51.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -82.52 -59.72 2.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.967 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -44.88 -70.3 0.11 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 82.2 m -41.27 -38.9 1.24 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.925 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 23.7 ttt85 -55.91 -54.84 39.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.871 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -63.45 -50.16 70.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -47.59 -52.31 18.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 17.9 tttp -47.13 -45.08 22.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 81.6 m -55.89 -54.25 46.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 69.0 mt -56.2 -45.26 79.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -58.89 -42.91 90.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.071 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 76.6 mt -58.17 -29.51 65.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 114.02 26.84 3.66 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.505 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . 0.448 ' HB3' ' CZ ' ' A' ' 98' ' ' PHE . 5.2 mtt -69.07 126.16 28.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.748 0.308 . . . . 0.0 110.93 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 12.5 t -93.18 123.74 36.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.877 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 41.0 p-80 -85.04 42.93 0.96 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 34.9 t30 -123.03 -49.17 1.97 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -39.53 -38.05 0.55 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.112 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' ILE . . . . . . . . . . . . . 62.5 mt -55.36 -60.1 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.1 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 4.1 ptp180 -96.95 71.87 2.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -153.7 145.66 23.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 119.45 80.03 0.64 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.44 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 48.2 t -133.01 -48.41 0.86 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.935 0.398 . . . . 0.0 110.861 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 134.83 -153.4 21.08 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.472 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 2.38 3.63 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.682 2.254 . . . . 0.0 112.355 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 34.2 t -115.62 166.46 11.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 83.7 p -126.18 -47.77 1.61 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.845 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.473 -179.984 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.4 m -78.37 151.54 32.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.894 0.378 . . . . 0.0 110.86 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 18.3 m -52.0 111.14 0.56 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.798 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -145.58 -122.0 1.45 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.508 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 12.2 t -82.87 44.32 0.91 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.836 0.351 . . . . 0.0 110.88 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.8 m -85.75 129.08 34.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.812 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -69.72 -123.53 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.489 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.463 ' HB3' ' HB3' ' A' ' 81' ' ' ALA . 0.3 OUTLIER -66.38 147.92 52.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.713 0.292 . . . . 0.0 110.88 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -137.4 135.65 37.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.908 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 45.5 t -46.13 148.74 0.8 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -97.56 -29.18 13.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.922 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.539 HG22 ' CD1' ' A' ' 136' ' ' LEU . 69.0 t -70.85 -63.4 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.117 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.418 ' SG ' ' N ' ' A' ' 78' ' ' GLY . 18.6 p -93.78 -45.42 7.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.842 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.418 ' N ' ' SG ' ' A' ' 77' ' ' CYS . . . 125.32 -40.3 1.9 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.511 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.446 ' O ' ' C ' ' A' ' 80' ' ' LYS . 21.4 t70 -41.95 154.3 0.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.838 0.351 . . . . 0.0 110.899 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 79' ' ' ASP . 0.6 OUTLIER -34.0 143.06 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.463 ' HB3' ' HB3' ' A' ' 72' ' ' MET . . . -92.87 143.05 26.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.133 179.784 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 32.2 t -86.35 -56.9 3.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.913 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -150.48 -149.23 4.97 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.505 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.478 ' CE2' ' HA2' ' A' ' 87' ' ' GLY . 21.1 t80 -123.28 93.32 3.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.921 0.391 . . . . 0.0 110.881 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 50.6 m-70 -114.81 144.4 43.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.895 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 57.18 30.05 17.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.946 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.478 ' HA2' ' CE2' ' A' ' 84' ' ' PHE . . . 62.64 17.4 57.41 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.49 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.657 HG21 ' HB3' ' A' ' 136' ' ' LEU . 4.3 p -139.47 136.12 40.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.887 0.375 . . . . 0.0 111.138 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.439 ' NE2' ' HG2' ' A' ' 72' ' ' MET . 32.4 m80 -68.54 97.5 0.78 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -119.12 158.69 25.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.084 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . 0.446 ' O ' ' CB ' ' A' ' 95' ' ' LYS . 20.2 p -95.14 176.42 6.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.879 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.408 ' CD ' ' H ' ' A' ' 92' ' ' GLU . 26.8 mp0 -57.0 -50.49 72.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -53.41 -70.46 0.92 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.479 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 57.1 m -53.91 -43.42 69.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.935 0.397 . . . . 0.0 110.881 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.446 ' CB ' ' O ' ' A' ' 91' ' ' CYS . 58.1 tttt -44.7 -47.96 10.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.932 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -72.87 -47.39 25.64 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.44 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.486 ' CE2' ' HG2' ' A' ' 129' ' ' ARG . 24.2 t80 -42.81 -57.78 2.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.913 0.387 . . . . 0.0 110.881 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 79.6 t80 -52.53 -61.65 2.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.46 ' HG3' HD12 ' A' ' 143' ' ' ILE . 54.9 ttt180 -47.66 -62.19 1.57 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.866 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 24.6 ttt180 -44.11 -52.16 7.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.837 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.573 HG21 ' CD1' ' A' ' 130' ' ' PHE . 62.9 m -53.31 -31.53 44.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.102 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 25.6 mm -80.09 -64.27 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.158 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -52.64 -25.62 11.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.887 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 4.3 mtp -94.31 -23.83 17.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.868 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 18.5 mmmt 62.01 38.33 14.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 15.3 mt -78.85 140.15 38.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -123.92 151.25 43.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -126.76 178.7 5.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.968 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.436 ' CD ' ' H ' ' A' ' 109' ' ' GLU . 0.0 OUTLIER -89.77 147.23 23.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.89 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 19.9 tttm -57.75 121.98 11.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.935 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 47.1 t -102.99 104.23 14.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.847 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -66.96 -43.08 84.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 50.7 mtp180 -43.01 -28.34 0.26 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.858 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 46.1 m 52.8 48.12 23.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . 0.441 ' N ' ' SG ' ' A' ' 128' ' ' CYS . 5.6 m -40.57 146.27 0.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.868 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 48.2 mtpt -97.43 108.83 21.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 29.1 mm -64.26 90.02 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.106 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -104.0 148.79 25.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 10.3 ptpt -47.46 -46.37 26.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 13.7 ptpt -53.13 -50.06 65.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -128.57 79.14 1.89 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 27.6 ptt-85 -88.22 -31.13 19.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -94.99 45.33 1.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 8.3 tmtm? -95.18 -62.38 1.32 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 46.7 t -114.62 149.06 37.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.859 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -88.49 -65.92 0.97 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -39.86 -59.41 1.19 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . 0.441 ' SG ' ' N ' ' A' ' 115' ' ' CYS . 67.9 m -50.23 -42.67 52.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.841 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.486 ' HG2' ' CE2' ' A' ' 97' ' ' PHE . 6.6 ttp180 -56.65 -63.38 1.22 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.573 ' CD1' HG21 ' A' ' 101' ' ' THR . 39.3 t80 -51.43 -51.3 56.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . 0.47 ' OE1' HD12 ' A' ' 134' ' ' LEU . 8.6 mm100 -45.71 -53.46 9.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.934 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 48.2 tttt -46.08 -48.81 17.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' CYS . . . . . 0.508 ' HA ' HD12 ' A' ' 136' ' ' LEU . 89.4 m -51.99 -53.2 44.45 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.876 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.47 HD12 ' OE1' ' A' ' 131' ' ' GLN . 92.6 mt -50.19 -50.47 49.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.937 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.01 -37.1 85.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.091 179.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.657 ' HB3' HG21 ' A' ' 88' ' ' VAL . 78.7 mt -59.39 -27.18 65.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.898 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 107.11 21.07 8.28 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.506 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 9.6 mtt -68.89 110.0 4.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.814 0.34 . . . . 0.0 110.87 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 15.9 m -82.98 132.95 35.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -72.69 -52.99 12.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 36.5 t-20 -40.72 -30.68 0.13 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . 0.452 ' O ' ' C ' ' A' ' 143' ' ' ILE . . . -52.12 -44.67 64.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.089 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' ILE . . . . . 0.46 HD12 ' HG3' ' A' ' 99' ' ' ARG . 7.4 mm -33.79 102.95 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.161 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 2.2 ptt-85 -149.35 151.52 34.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -113.33 82.5 1.68 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 54.97 -177.01 0.42 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.461 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 28.9 t -83.94 -54.8 4.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.902 0.382 . . . . 0.0 110.87 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 163.3 99.44 0.14 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.501 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -0.07 6.34 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.644 2.23 . . . . 0.0 112.335 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 88.8 p -88.44 -46.01 9.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.823 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 1.3 t -71.33 -59.44 2.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.882 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.262 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.458 -179.974 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.496 -0.241 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.5 t -99.04 111.12 23.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.915 0.388 . . . . 0.0 110.902 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 43.8 t -96.06 108.85 21.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.855 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -170.29 -134.73 1.79 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.556 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 51.5 p -166.38 161.18 16.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.913 0.387 . . . . 0.0 110.843 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 28.1 p -164.22 157.77 18.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.855 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -120.68 47.83 0.99 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.477 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 1.1 tpt -128.77 123.65 33.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.764 0.316 . . . . 0.0 110.892 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -133.14 131.47 40.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.415 ' N ' ' HB2' ' A' ' 81' ' ' ALA . 47.6 t -47.25 126.89 10.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.928 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.44 ' O ' HD11 ' A' ' 136' ' ' LEU . 10.9 mmt85 -85.76 26.59 0.95 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 98.9 t -128.64 -43.42 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.122 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.404 ' SG ' ' N ' ' A' ' 78' ' ' GLY . 22.2 p -120.24 -46.44 2.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.404 ' N ' ' SG ' ' A' ' 77' ' ' CYS . . . 134.43 -37.06 2.0 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.481 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -51.4 157.35 1.03 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.887 0.375 . . . . 0.0 110.837 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 23.3 tttt -40.09 133.05 1.78 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.451 ' O ' ' C ' ' A' ' 82' ' ' SER . . . -87.71 101.66 13.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.076 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 81' ' ' ALA . 10.6 t -34.26 -54.38 0.51 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 173.21 -146.21 8.83 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.438 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.566 ' CZ ' ' HA2' ' A' ' 87' ' ' GLY . 91.5 t80 -85.28 123.48 30.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.915 0.388 . . . . 0.0 110.883 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 22.2 m-70 -152.7 131.76 12.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 54.01 25.56 5.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.909 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.566 ' HA2' ' CZ ' ' A' ' 84' ' ' PHE . . . 83.88 -22.23 8.35 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.468 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.886 HG21 HD13 ' A' ' 136' ' ' LEU . 11.6 p -108.19 133.9 51.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.844 0.354 . . . . 0.0 111.157 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 33.0 m80 -72.18 85.41 1.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -107.48 173.27 6.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.121 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 20.3 p -99.09 155.82 17.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -49.4 -27.4 4.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.926 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -72.45 -36.46 59.13 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.519 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 68.3 m -85.54 -35.72 20.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.877 0.37 . . . . 0.0 110.857 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -49.63 -46.62 49.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -61.83 -52.61 49.29 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.511 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -42.0 -67.22 0.28 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.922 0.391 . . . . 0.0 110.877 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -38.51 -68.94 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.899 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.571 ' HG3' HD12 ' A' ' 143' ' ' ILE . 14.6 ttt85 -41.17 -65.28 0.45 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.841 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 58.4 ttt180 -39.54 -52.75 2.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.563 HG21 ' CD1' ' A' ' 130' ' ' PHE . 27.5 m -51.24 -45.23 61.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.122 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 25.1 mm -67.09 -64.71 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 2.0 ptp180 -49.93 -29.05 7.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.847 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 14.5 mtp -96.32 -15.37 21.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 101' ' ' THR . 23.7 mmmt 50.63 42.8 27.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.884 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 33.7 mt -70.51 118.01 12.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -92.26 133.57 35.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -118.94 172.08 7.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.949 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.433 ' HG2' ' N ' ' A' ' 110' ' ' LYS . 22.4 tt0 -95.3 146.83 24.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.433 ' N ' ' HG2' ' A' ' 109' ' ' GLU . 11.5 tppt? -59.65 125.92 25.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.857 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 48.5 t -112.7 100.65 8.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -67.75 -30.43 69.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 21.8 mmt180 -51.09 -20.34 1.42 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.893 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 115' ' ' CYS . 1.8 m 46.3 47.2 13.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.847 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . 0.418 ' C ' ' O ' ' A' ' 114' ' ' SER . 14.5 m -37.12 152.78 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.904 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 7.5 mtpm? -99.49 101.82 13.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 39.5 mm -65.91 109.73 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.158 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -119.68 166.51 13.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 12.3 ptpt -69.63 -20.79 63.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.869 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 10.3 tppt? -77.94 -42.69 32.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.918 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -133.99 66.41 1.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.881 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 21.2 ptt180 -76.37 -22.7 54.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 -100.38 47.8 0.93 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.853 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 6.0 tptm -100.52 -57.33 2.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 30.8 t -117.19 143.67 45.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -86.55 -59.99 2.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 49.8 t80 -45.82 -71.14 0.08 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 93.4 m -39.58 -51.86 2.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.867 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 53.2 ttt180 -47.58 -49.72 25.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.563 ' CD1' HG21 ' A' ' 101' ' ' THR . 40.7 t80 -69.6 -41.8 75.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . 0.428 ' HA ' HD12 ' A' ' 134' ' ' LEU . 13.1 mm100 -56.27 -59.36 5.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.936 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 24.9 tttp -40.71 -49.53 3.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.863 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 37.8 m -53.14 -51.53 61.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.873 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.428 HD12 ' HA ' ' A' ' 131' ' ' GLN . 25.9 mt -53.99 -56.19 20.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.956 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -49.69 -36.88 26.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.039 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.886 HD13 HG21 ' A' ' 88' ' ' VAL . 84.1 mt -68.3 -25.06 64.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.943 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . 0.443 ' O ' ' C ' ' A' ' 138' ' ' MET . . . 121.08 -12.68 9.77 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.457 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . 0.443 ' C ' ' O ' ' A' ' 137' ' ' GLY . 2.4 mmt -34.16 126.88 0.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.786 0.327 . . . . 0.0 110.884 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 78.5 p -114.61 129.49 56.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -93.73 21.7 6.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.85 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -97.07 -31.5 12.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -60.18 -25.38 65.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.088 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' ILE . . . . . 0.571 HD12 ' HG3' ' A' ' 99' ' ' ARG . 50.4 mm -47.63 -57.75 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.131 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 50.4 ttt180 -164.35 128.92 2.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' PHE . . . . . 0.443 ' CD1' ' O ' ' A' ' 145' ' ' PHE . 7.1 p90 -122.33 130.91 53.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -162.0 142.69 8.17 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.497 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 72.0 p -119.39 129.39 54.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.933 0.397 . . . . 0.0 110.873 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -114.1 170.99 13.54 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.487 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.81 -30.08 22.61 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.71 2.274 . . . . 0.0 112.282 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 10.8 t -71.58 83.5 0.84 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.835 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 58.2 p -55.29 159.64 2.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.845 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.472 -179.985 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 86.5 p -48.82 120.89 4.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.86 0.362 . . . . 0.0 110.837 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 25.4 m -83.21 42.68 0.83 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -65.75 -139.04 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.503 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 97.3 p -135.28 160.22 39.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.85 0.357 . . . . 0.0 110.885 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 86.2 p -68.4 106.82 2.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.83 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -92.56 -122.24 3.07 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.512 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.438 ' HB3' ' HB3' ' A' ' 81' ' ' ALA . 23.2 mtm -95.87 107.57 19.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.765 0.317 . . . . 0.0 110.851 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -129.29 139.64 51.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.436 ' SG ' ' HB ' ' A' ' 76' ' ' VAL . 42.9 t -65.0 116.69 6.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -58.05 -27.08 63.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.466 HG22 ' CD1' ' A' ' 136' ' ' LEU . 15.6 t -69.19 -71.56 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.098 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 31.8 p -96.6 -47.81 5.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 131.91 -36.41 2.22 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.515 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -39.75 158.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.907 0.384 . . . . 0.0 110.839 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 18.5 mttm -42.32 126.11 3.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.438 ' HB3' ' HB3' ' A' ' 72' ' ' MET . . . -77.5 111.84 13.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.126 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 39.0 t -54.72 -55.45 29.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.796 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -158.33 -138.75 2.55 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.457 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -124.93 91.79 3.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.884 0.374 . . . . 0.0 110.857 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 45.7 m-70 -106.32 141.3 37.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.854 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 42.1 m-85 54.77 41.96 31.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.905 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 54.84 21.45 23.13 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.488 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.456 HG11 ' HG2' ' A' ' 138' ' ' MET . 6.6 p -140.54 136.3 35.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.851 0.358 . . . . 0.0 111.092 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 38.9 m80 -70.93 87.78 0.73 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.826 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -116.62 171.6 7.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.143 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 16.4 p -104.04 172.37 6.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.869 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -61.6 -50.83 71.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -46.86 -47.59 19.03 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.509 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 99.8 m -74.81 -49.79 19.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.908 0.385 . . . . 0.0 110.869 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 21.1 tttp -42.85 -60.31 1.64 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -53.86 -40.96 66.12 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.489 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -59.75 -55.57 32.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.834 0.349 . . . . 0.0 110.875 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -51.3 -54.87 21.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 15.7 ttm180 -56.97 -58.53 7.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.852 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 14.4 ttt180 -42.58 -48.49 5.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.439 ' O ' ' N ' ' A' ' 105' ' ' LYS . 47.3 m -57.1 -42.82 81.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.157 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 48.0 mm -66.65 -63.91 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.112 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 29.1 ptt85 -51.01 -40.42 58.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.81 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 62.8 mtp -84.82 -15.98 42.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.876 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 101' ' ' THR . 15.6 mmtp 53.59 47.34 24.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 24.7 mt -77.48 123.8 27.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -93.82 136.63 33.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.873 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -117.36 158.46 24.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.955 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -85.04 119.34 25.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.909 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.562 ' HA ' ' CE2' ' A' ' 127' ' ' TYR . 2.4 tmmm? -40.24 117.98 0.85 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.879 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 45.9 t -102.27 93.53 5.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 113' ' ' ARG . 39.3 mt-10 -53.58 -46.58 70.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.862 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 112' ' ' GLU . 65.1 mmt-85 -35.07 -40.45 0.12 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.855 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 9.1 t 66.26 45.03 2.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.873 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 9.0 m -37.9 146.51 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.855 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 60.7 mmtt -91.33 109.19 20.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 38.0 mm -66.55 109.17 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.142 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -118.55 161.65 19.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.447 ' HG3' ' N ' ' A' ' 120' ' ' LYS . 12.7 ptmm? -67.8 -42.72 81.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.447 ' N ' ' HG3' ' A' ' 119' ' ' LYS . 0.0 OUTLIER -54.97 -48.32 73.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.932 179.843 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 67.8 m-20 -131.11 81.44 1.99 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.9 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 28.7 ptt180 -87.72 -31.01 19.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -85.22 47.28 1.39 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.906 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 19.1 ttpp -99.96 -62.22 1.27 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 10.9 t -116.89 142.77 46.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.897 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 16.7 mp0 -88.06 -54.51 4.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.933 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . 0.562 ' CE2' ' HA ' ' A' ' 110' ' ' LYS . 64.5 t80 -52.67 -58.03 8.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.915 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 65.7 m -51.35 -48.69 62.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.894 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 6.7 tpp85 -53.19 -54.45 35.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -61.59 -58.51 7.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.884 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . 0.53 ' HG3' ' CE1' ' A' ' 127' ' ' TYR . 7.3 mm100 -41.45 -47.55 3.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.935 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 25.1 tttp -49.96 -54.86 17.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.879 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 92.1 m -45.12 -48.88 12.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 66.1 mt -54.34 -49.36 69.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.02 -35.84 81.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.107 179.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.466 ' CD1' HG22 ' A' ' 76' ' ' VAL . 89.3 mt -61.64 -26.56 68.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 107.76 29.68 4.3 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.499 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . 0.456 ' HG2' HG11 ' A' ' 88' ' ' VAL . 3.7 mtt -75.14 105.31 6.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.758 0.314 . . . . 0.0 110.902 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . 0.446 ' HB2' ' ND2' ' A' ' 141' ' ' ASN . 55.3 p -68.94 115.9 8.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.858 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . 0.467 ' CG ' ' N ' ' A' ' 141' ' ' ASN . 23.8 p-80 -70.69 -46.62 62.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . 0.467 ' N ' ' CG ' ' A' ' 140' ' ' HIS . 7.2 p30 -41.04 -47.75 3.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.881 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 141' ' ' ASN . . . -35.23 -42.9 0.2 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.095 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' ILE . . . . . . . . . . . . . 21.8 mt -70.41 -62.95 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.132 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 9.1 mmm180 -43.87 119.25 1.66 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -130.89 150.12 52.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -146.57 -100.55 0.27 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.476 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 52.2 p -80.25 -48.53 12.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.948 0.404 . . . . 0.0 110.881 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 135.26 151.01 6.14 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.48 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -11.56 31.09 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.706 2.271 . . . . 0.0 112.391 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 36.3 m -90.18 169.99 10.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 152' ' ' GLY . 24.9 t -55.27 145.66 21.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.891 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 151' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.483 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.543 -0.223 . . . . 0.0 112.543 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 40.2 t -119.31 142.11 48.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.88 0.371 . . . . 0.0 110.86 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 66.1 p -59.84 124.02 18.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.829 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -62.6 -144.85 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.501 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 37.5 p -123.02 156.98 33.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.814 0.34 . . . . 0.0 110.884 -179.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 9.2 t -137.81 126.45 23.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 164.27 -43.67 0.31 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.54 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -125.73 132.66 52.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.721 0.296 . . . . 0.0 110.889 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -148.75 140.67 23.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.511 ' O ' ' N ' ' A' ' 78' ' ' GLY . 41.7 t -64.72 110.47 2.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 39.3 mmt-85 -50.67 -33.88 24.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.926 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 10.8 t -62.6 -71.5 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.133 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 24.3 p -97.36 -45.88 6.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.854 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.511 ' N ' ' O ' ' A' ' 74' ' ' CYS . . . 128.48 -36.19 2.52 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.483 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.428 ' O ' ' C ' ' A' ' 80' ' ' LYS . 13.0 t0 -42.0 157.75 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.902 0.382 . . . . 0.0 110.834 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 79' ' ' ASP . 21.8 pttt -35.72 132.35 0.47 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.8 98.21 10.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.103 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 11.9 t -42.35 -50.81 5.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -167.03 -154.68 8.58 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.437 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -109.66 90.91 3.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.921 0.391 . . . . 0.0 110.911 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 68.2 m-70 -107.0 139.11 41.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 58.21 37.39 26.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.945 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 59.42 20.19 50.22 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.499 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 3.2 p -140.75 138.76 35.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.891 0.377 . . . . 0.0 111.079 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 8.2 m80 -71.84 90.73 1.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -116.58 171.52 7.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 18.9 p -102.65 170.25 8.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.878 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -58.78 -49.4 77.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -49.87 -72.39 0.49 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.519 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . 0.419 ' O ' ' C ' ' A' ' 95' ' ' LYS . 89.3 m -41.52 -55.45 2.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.897 0.379 . . . . 0.0 110.919 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 94' ' ' CYS . 12.3 ttmm -36.8 -51.07 0.88 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.924 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -55.83 -46.93 81.99 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.513 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.533 ' CE2' ' HG2' ' A' ' 129' ' ' ARG . 68.6 t80 -60.36 -55.68 30.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.859 0.361 . . . . 0.0 110.88 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.502 ' CZ ' ' HB3' ' A' ' 138' ' ' MET . 74.1 t80 -52.37 -61.16 2.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 28.9 ttm180 -52.46 -53.09 50.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 21.1 ttm180 -46.82 -47.78 21.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 27.8 m -61.04 -37.28 82.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.13 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 13.0 mm -72.46 -63.16 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.111 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 23.5 ptt180 -51.91 -38.5 56.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.938 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 41.5 mtp -88.03 -10.89 48.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.868 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 36.5 mtpt 49.57 49.22 20.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.936 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 47.8 mt -84.69 169.0 14.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -144.85 159.43 42.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.465 ' CD1' ' HB3' ' A' ' 126' ' ' GLN . 55.8 m-85 -140.12 170.71 15.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.931 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -77.84 135.61 37.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.916 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.497 ' HA ' ' CZ ' ' A' ' 127' ' ' TYR . 24.6 ttmt -55.1 137.72 45.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 49.0 t -125.05 112.13 16.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -75.69 -37.47 59.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 58.2 mtp85 -43.65 -25.02 0.14 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.869 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 115' ' ' CYS . 7.6 m 51.92 45.4 28.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.83 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . 0.409 ' C ' ' O ' ' A' ' 114' ' ' SER . 10.7 m -37.49 152.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 27.7 mttm -97.8 108.49 21.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 30.6 mm -70.21 109.55 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.152 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 65.0 mt-30 -123.47 161.16 25.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.9 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 16.2 ttpp -38.77 -50.96 1.71 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 35.9 mmtt -80.6 -47.93 13.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.921 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -82.86 44.54 0.93 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 32.1 ttp180 -83.12 -50.69 8.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.86 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -90.99 39.43 0.99 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 29.8 tttm -91.3 -56.98 2.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 33.5 t -117.07 145.47 43.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.877 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.465 ' HB3' ' CD1' ' A' ' 108' ' ' TYR . 50.7 mt-30 -87.36 -52.38 5.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . 0.497 ' CZ ' ' HA ' ' A' ' 110' ' ' LYS . 13.6 t80 -58.13 -65.98 0.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 80.2 m -41.15 -42.71 2.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.912 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.533 ' HG2' ' CE2' ' A' ' 97' ' ' PHE . 19.4 ttt180 -55.9 -47.73 76.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.912 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -72.05 -44.54 63.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . 0.42 ' CG ' ' CE2' ' A' ' 127' ' ' TYR . 17.4 mm100 -55.05 -52.95 61.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.877 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 59.5 tttt -46.67 -60.62 2.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 34.2 m -42.32 -56.6 2.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 23.5 mt -56.54 -49.76 73.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -52.53 -36.66 55.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.114 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 81.0 mt -67.75 -24.06 65.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.97 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 104.89 28.64 5.54 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.47 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . 0.502 ' HB3' ' CZ ' ' A' ' 98' ' ' PHE . 9.2 mtt -69.94 107.41 3.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.812 0.339 . . . . 0.0 110.851 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 14.9 m -76.44 133.0 39.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.88 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . 0.434 ' O ' ' C ' ' A' ' 141' ' ' ASN . 4.9 p80 -81.6 -43.06 19.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.846 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . 0.434 ' C ' ' O ' ' A' ' 140' ' ' HIS . 1.6 m120 -34.85 -41.12 0.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.877 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -46.99 -64.01 0.89 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.096 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' ILE . . . . . 0.673 HD12 ' H ' ' A' ' 143' ' ' ILE . 5.2 mp -38.26 118.66 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.138 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 16.3 mtp180 -77.07 161.16 28.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -47.82 -59.81 3.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 157.19 123.39 0.76 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.491 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 89.1 p -107.26 104.2 13.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.906 0.384 . . . . 0.0 110.883 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 140.7 -120.36 1.73 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.49 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 120.38 7.18 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.733 2.288 . . . . 0.0 112.337 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 4.5 m -111.35 -55.41 2.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.841 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 91.4 p -77.7 113.81 15.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.484 -179.976 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.501 -0.239 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 27.3 m -146.47 142.09 27.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.864 0.364 . . . . 0.0 110.866 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.1 t -97.46 -48.6 5.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.857 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 69' ' ' SER . . . -130.66 -165.58 11.57 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.489 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 68' ' ' GLY . 13.8 m -37.33 128.34 1.01 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.891 0.377 . . . . 0.0 110.889 -179.717 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 67.9 m -110.42 100.18 9.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.834 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -148.65 -107.15 0.44 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.458 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 3.8 mpp? -126.8 127.18 44.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.791 0.329 . . . . 0.0 110.861 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 26.3 pm0 -158.65 142.94 15.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.469 ' N ' ' HB2' ' A' ' 81' ' ' ALA . 48.7 t -46.96 136.63 8.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.844 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 30.6 mmt180 -92.6 -16.95 25.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.846 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.529 HG22 ' CD1' ' A' ' 136' ' ' LEU . 45.2 t -79.21 -56.64 6.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.096 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.418 ' SG ' ' N ' ' A' ' 78' ' ' GLY . 16.1 p -106.19 -44.78 4.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.418 ' N ' ' SG ' ' A' ' 77' ' ' CYS . . . 132.55 -44.74 1.18 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.471 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 80' ' ' LYS . 29.5 t70 -41.66 149.49 0.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.891 0.377 . . . . 0.0 110.863 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 79' ' ' ASP . 7.8 ttpp -34.45 135.2 0.18 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.469 ' HB2' ' N ' ' A' ' 74' ' ' CYS . . . -87.96 104.15 16.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.087 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 13.4 t -42.95 -47.96 5.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -165.99 -161.3 14.73 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.531 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -105.89 94.59 5.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.916 0.389 . . . . 0.0 110.808 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 35.1 m-70 -110.83 145.1 38.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.843 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 55.52 30.93 16.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 61.95 16.2 51.64 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.532 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.595 HG21 ' HB3' ' A' ' 136' ' ' LEU . 7.9 p -137.25 131.09 44.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.877 0.37 . . . . 0.0 111.116 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 12.7 m80 -59.93 97.81 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.863 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -128.27 156.39 43.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.092 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 19.9 p -93.15 173.5 7.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -60.51 -52.11 66.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.884 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -47.9 -68.9 1.06 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.471 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 98.8 m -44.38 -49.54 9.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.882 0.372 . . . . 0.0 110.876 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 19.8 ttpp -38.97 -66.49 0.28 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -39.73 -53.3 3.05 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.482 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.545 ' CE2' ' HG2' ' A' ' 129' ' ' ARG . 88.6 t80 -51.03 -65.87 0.48 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.841 0.353 . . . . 0.0 110.891 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.471 ' CZ ' ' HB3' ' A' ' 138' ' ' MET . 63.6 t80 -41.73 -69.96 0.12 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.414 ' O ' ' N ' ' A' ' 102' ' ' ILE . 21.8 ttm180 -46.91 -59.91 2.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.405 ' HA ' ' CG ' ' A' ' 103' ' ' ARG . 17.9 ttp180 -42.39 -45.05 4.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 97.5 m -63.0 -33.7 75.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.162 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.414 ' N ' ' O ' ' A' ' 99' ' ' ARG . 35.6 mm -76.88 -56.81 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.165 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.442 ' NH1' ' HB2' ' A' ' 103' ' ' ARG . 3.6 ptm85 -56.37 -29.98 62.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.857 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 21.5 mtp -97.8 -6.59 32.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 54.2 mtpt 46.13 47.66 13.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.92 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 22.4 mt -83.87 129.37 34.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.909 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -114.37 163.4 15.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 33.2 m-85 -148.17 167.98 23.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.93 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -79.04 144.59 34.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.43 ' HA ' ' CE2' ' A' ' 127' ' ' TYR . 32.5 tttp -55.82 110.18 0.69 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 37.3 t -88.98 86.44 6.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.908 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' A' ' 114' ' ' SER . 49.3 mt-10 -49.28 -41.93 39.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 40.3 mtm180 -39.34 -29.34 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.851 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 115' ' ' CYS . 1.8 m 52.24 45.21 28.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.839 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . 0.43 ' C ' ' O ' ' A' ' 114' ' ' SER . 8.1 m -35.89 134.69 0.35 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.913 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -84.27 103.98 13.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 23.6 mm -62.67 95.3 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.149 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 44.8 tp60 -103.47 142.14 34.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.943 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 31.1 mtmt -43.65 -49.72 7.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 63.2 tttt -50.81 -48.73 59.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.882 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -130.88 81.89 2.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.89 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 16.6 ptt180 -88.31 -32.2 18.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 32.6 p-10 -88.91 44.31 1.2 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.91 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 23.5 ttmt -90.79 -62.07 1.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 49.8 t -110.76 147.37 34.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 23.7 mp0 -85.93 -64.19 1.19 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . 0.569 ' CE2' ' HG3' ' A' ' 131' ' ' GLN . 65.1 t80 -45.54 -68.04 0.23 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 95.8 m -41.68 -50.12 4.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.545 ' HG2' ' CE2' ' A' ' 97' ' ' PHE . 38.1 ttt180 -50.17 -50.53 48.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.463 ' CE2' HD11 ' A' ' 134' ' ' LEU . 31.0 t80 -65.85 -53.23 42.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . 0.569 ' HG3' ' CE2' ' A' ' 127' ' ' TYR . 29.6 mm-40 -47.69 -50.61 24.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.05 -53.29 20.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 5.5 m -51.19 -50.93 58.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.463 HD11 ' CE2' ' A' ' 130' ' ' PHE . 74.8 mt -55.78 -48.36 75.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -59.5 -32.94 70.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.112 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.595 ' HB3' HG21 ' A' ' 88' ' ' VAL . 71.5 mt -65.85 -28.57 69.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.969 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 114.56 23.8 4.61 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.482 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . 0.471 ' HB3' ' CZ ' ' A' ' 98' ' ' PHE . 7.8 mtt -69.24 114.06 7.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.805 0.336 . . . . 0.0 110.844 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 4.1 t -74.91 112.27 10.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 47.8 p-80 -85.45 -12.52 51.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.878 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -89.97 5.19 47.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -106.82 32.04 4.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.118 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' ILE . . . . . . . . . . . . . 13.9 mm -94.77 87.82 2.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.135 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 12.5 tpp180 -160.51 122.73 3.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' PHE . . . . . . . . . . . . . 20.2 p90 -71.81 -43.89 64.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -167.16 150.72 17.8 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.489 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 16.0 t -53.68 114.73 1.65 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.855 0.359 . . . . 0.0 110.839 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 133.7 101.76 0.75 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.514 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 86.19 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.64 2.226 . . . . 0.0 112.353 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 151' ' ' SER . 1.2 t -123.72 95.67 4.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.827 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 150' ' ' SER . 21.7 m -37.11 151.77 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.847 -179.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.49 -179.98 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.5 m -157.34 153.54 27.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.899 0.38 . . . . 0.0 110.852 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 13.4 t -78.88 142.31 36.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.868 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -87.34 68.2 3.19 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.485 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 46.9 t -95.63 -50.75 4.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.899 0.38 . . . . 0.0 110.811 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 96.2 p -64.72 -48.1 75.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.844 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -61.68 -172.66 1.25 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.481 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 33.1 mmt -69.23 169.21 12.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.746 0.308 . . . . 0.0 110.854 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -155.03 138.74 16.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 42.8 t -44.24 150.63 0.29 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.896 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -101.36 -25.36 13.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 38.6 t -75.63 -58.67 4.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.14 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 15.1 p -99.36 -41.06 7.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 119.99 -39.8 2.37 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.501 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 80' ' ' LYS . 26.9 t70 -42.22 151.83 0.1 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.854 0.359 . . . . 0.0 110.888 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 79' ' ' ASP . 23.6 tttt -35.24 136.95 0.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.935 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -87.78 141.86 28.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.133 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 47.1 t -92.03 -39.57 11.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.838 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -160.44 -158.73 9.42 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.507 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -122.6 89.01 3.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.884 0.373 . . . . 0.0 110.893 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 42.0 m-70 -106.86 140.4 39.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.878 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 64.7 28.25 13.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.938 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 62.86 19.38 60.9 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.464 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.408 HG21 ' HB3' ' A' ' 136' ' ' LEU . 5.5 p -138.55 139.42 41.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.903 0.382 . . . . 0.0 111.113 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 15.8 m80 -67.52 90.83 0.26 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -118.7 157.31 27.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.116 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 20.4 p -95.46 172.93 7.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -56.04 -49.21 74.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.903 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -52.73 -70.67 0.84 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.475 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 64.1 m -52.07 -47.62 65.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.894 0.378 . . . . 0.0 110.871 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 34.3 tttt -42.25 -49.36 5.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -63.51 -60.94 6.75 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.481 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.563 ' CE2' ' HD3' ' A' ' 129' ' ' ARG . 39.3 t80 -38.09 -62.33 0.58 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.894 0.378 . . . . 0.0 110.888 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.547 ' CE2' ' HB3' ' A' ' 138' ' ' MET . 73.7 t80 -46.15 -55.12 7.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.558 ' NE ' HH21 ' A' ' 103' ' ' ARG . 29.4 ttt180 -55.76 -66.06 0.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.45 ' HA ' ' CG ' ' A' ' 103' ' ' ARG . 34.5 ttt180 -39.28 -49.12 1.92 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.858 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 90.9 m -56.81 -37.64 71.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.109 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.447 ' O ' ' N ' ' A' ' 105' ' ' LYS . 43.1 mm -77.55 -65.53 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.15 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.558 HH21 ' NE ' ' A' ' 99' ' ' ARG . 3.6 ptp180 -43.9 -28.93 0.5 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 25.7 mtp -98.91 -21.96 16.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 102' ' ' ILE . 34.6 mmtt 63.36 47.36 3.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 24.7 mt -81.45 146.75 30.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.867 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -116.43 159.82 21.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 49.5 m-85 -140.8 146.78 38.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.944 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.521 ' O ' ' CD2' ' A' ' 127' ' ' TYR . 8.0 pt-20 -55.76 162.07 1.9 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.909 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 45.7 tttt -77.71 116.42 18.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.939 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 16.4 t -105.11 115.12 29.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.85 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -85.44 -29.33 24.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 60.9 mtt180 -51.05 -22.97 2.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 115' ' ' CYS . 27.5 m 51.49 43.41 29.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.757 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . 0.426 ' C ' ' O ' ' A' ' 114' ' ' SER . 9.2 m -36.51 137.61 0.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.887 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 23.6 ttmt -89.28 109.72 20.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 28.1 mm -66.0 105.53 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.119 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 62.6 mt-30 -102.71 163.54 12.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.906 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 47.0 pttt -62.94 -43.26 99.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.845 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 48.9 mttm -62.62 -52.34 63.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 39.2 m-20 -105.65 92.36 4.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 82.7 mtm-85 -87.06 -54.81 4.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.897 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -81.53 43.8 0.76 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 12.5 tmtt? -78.52 -63.58 1.37 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 35.8 t -118.42 137.49 53.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.453 ' NE2' ' HA ' ' A' ' 126' ' ' GLN . 6.0 mm-40 -78.88 -45.91 19.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.89 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . 0.521 ' CD2' ' O ' ' A' ' 109' ' ' GLU . 40.0 t80 -64.34 -71.74 0.17 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 84.4 m -41.26 -55.47 2.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.854 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.563 ' HD3' ' CE2' ' A' ' 97' ' ' PHE . 41.3 ttt85 -44.61 -45.1 9.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -69.33 -60.27 2.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 40.5 mm-40 -41.81 -45.38 3.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.29 -54.66 28.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.909 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' CYS . . . . . 0.468 ' HB3' ' CD1' ' A' ' 98' ' ' PHE . 65.0 m -49.7 -39.21 36.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 93.1 mt -64.63 -48.04 76.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.926 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -57.59 -38.22 74.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.113 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.408 ' HB3' HG21 ' A' ' 88' ' ' VAL . 59.7 mt -60.92 -28.42 68.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 109.71 6.72 28.41 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.473 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . 0.547 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 7.2 mtt -51.41 116.24 1.97 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.801 0.334 . . . . 0.0 110.897 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 1.6 t -75.89 157.63 33.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.849 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . 0.418 ' O ' ' C ' ' A' ' 141' ' ' ASN . 15.9 m170 -105.97 -46.3 4.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.873 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . 0.418 ' C ' ' O ' ' A' ' 140' ' ' HIS . 58.9 t30 -37.1 -46.5 0.69 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.892 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . 0.42 ' O ' ' C ' ' A' ' 143' ' ' ILE . . . -40.47 -63.9 0.58 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.07 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' ILE . . . . . 0.523 HD12 ' H ' ' A' ' 143' ' ' ILE . 3.4 mp -36.24 -52.45 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.063 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 51.7 ttt180 -87.53 110.37 20.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' PHE . . . . . . . . . . . . . 31.9 p90 -61.76 153.53 28.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 84.25 172.55 49.09 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.448 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 60.7 p -85.08 157.24 20.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.927 0.394 . . . . 0.0 110.907 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 149.73 146.01 4.24 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.501 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -9.58 26.46 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.69 2.26 . . . . 0.0 112.353 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 3.9 m 60.08 36.13 21.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 4.7 m -139.91 150.19 44.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.856 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.521 -179.987 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 20.8 m 60.93 42.21 13.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.897 0.38 . . . . 0.0 110.862 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 66.5 m -120.28 -46.63 2.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.901 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.41 -104.24 1.98 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.47 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 66.9 m -105.98 109.58 21.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.915 0.388 . . . . 0.0 110.869 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 71.9 p -50.49 -52.43 38.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.83 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 125.18 -108.09 1.05 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.527 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.42 140.08 49.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.747 0.308 . . . . 0.0 110.858 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -149.58 154.64 39.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.862 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 44.8 t -66.23 147.34 53.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.924 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 22.4 mmt180 -90.18 -25.58 20.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 66.1 t -74.52 -70.96 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.104 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.4 ' SG ' ' N ' ' A' ' 78' ' ' GLY . 31.2 p -86.89 -48.22 8.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.4 ' N ' ' SG ' ' A' ' 77' ' ' CYS . . . 127.49 -34.24 3.09 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.514 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.447 ' O ' ' C ' ' A' ' 80' ' ' LYS . 23.8 t70 -48.86 150.72 1.4 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.859 0.361 . . . . 0.0 110.87 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 79' ' ' ASP . 18.2 tttt -34.07 137.61 0.1 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -84.94 145.56 27.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.1 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 25.0 m -93.75 -47.24 6.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -154.42 -175.95 26.18 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.474 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -103.58 89.29 3.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.882 0.373 . . . . 0.0 110.908 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 18.6 m-70 -110.73 147.23 34.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.868 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.439 ' HB2' HG12 ' A' ' 88' ' ' VAL . 4.9 m-85 58.07 30.7 19.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.929 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 60.49 13.29 29.68 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.445 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.439 HG12 ' HB2' ' A' ' 86' ' ' TYR . 7.0 p -134.07 132.3 55.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.88 0.372 . . . . 0.0 111.12 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 25.1 m80 -62.12 91.08 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -116.26 164.38 14.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.119 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 17.8 p -102.83 159.03 15.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.882 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -46.36 -47.98 18.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -50.6 -68.73 1.33 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.492 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 84.9 m -55.24 -48.59 73.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.952 0.406 . . . . 0.0 110.907 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 20.6 tttm -38.2 -65.62 0.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.931 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -48.01 -60.46 5.53 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.46 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.476 ' CE1' ' HG2' ' A' ' 129' ' ' ARG . 11.7 t80 -38.15 -60.54 0.75 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.888 0.375 . . . . 0.0 110.881 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -44.96 -68.16 0.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 19.7 ttm180 -46.42 -58.29 3.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 17.7 ttt180 -41.94 -57.81 2.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 61.9 m -53.18 -30.66 38.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.184 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.419 HG21 ' CD1' ' A' ' 143' ' ' ILE . 48.4 mm -76.57 -64.07 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.163 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 28.2 ptt180 -53.56 -24.88 14.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . 0.445 ' CB ' ' HG ' ' A' ' 106' ' ' LEU . 11.6 mtp -96.25 -14.13 22.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 24.7 mtpp 51.2 36.67 16.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.938 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.445 ' HG ' ' CB ' ' A' ' 104' ' ' MET . 23.8 mt -74.66 146.85 42.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 12.8 pm0 -114.99 169.51 9.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -148.96 164.97 33.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.942 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -73.47 139.16 45.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.891 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.45 ' HA ' ' CE2' ' A' ' 127' ' ' TYR . 22.1 ttmt -63.75 128.73 37.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 49.9 t -120.05 107.45 13.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.845 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -73.83 -32.81 63.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.863 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 74.1 mtp180 -47.21 -21.84 0.32 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 115' ' ' CYS . 47.0 m 48.65 45.87 21.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . 0.454 ' N ' ' SG ' ' A' ' 128' ' ' CYS . 14.0 m -36.46 151.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.88 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 6.5 tmtm? -103.53 109.62 21.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 25.6 mm -62.88 108.05 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.116 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -117.06 141.08 48.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.955 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 28.3 ttpt -47.09 -52.23 15.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.937 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 27.1 mttt -45.43 -55.09 6.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -130.31 80.99 1.98 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 30.5 ptt-85 -84.99 -34.74 22.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.844 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 43.9 t-20 -80.2 59.21 3.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 20.8 ttpt -112.19 -65.51 1.17 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 33.9 t -112.65 137.54 50.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -87.68 -55.19 3.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.941 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . 0.49 ' CE1' ' HG3' ' A' ' 131' ' ' GLN . 44.5 t80 -47.29 -56.02 7.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . 0.454 ' SG ' ' N ' ' A' ' 115' ' ' CYS . 47.2 m -53.19 -55.8 21.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.905 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.476 ' HG2' ' CE1' ' A' ' 97' ' ' PHE . 13.5 ttm-85 -40.06 -53.17 2.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -62.78 -45.17 93.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . 0.49 ' HG3' ' CE1' ' A' ' 127' ' ' TYR . 14.3 mm100 -51.42 -55.87 16.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 27.1 tttp -42.32 -58.27 2.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 55.3 m -42.2 -46.48 4.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.881 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.488 ' CD2' ' NE2' ' A' ' 140' ' ' HIS . 46.1 mt -63.64 -57.23 10.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -51.35 -34.31 33.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.113 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 65.6 mt -64.34 -26.22 68.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 108.44 14.84 15.07 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.504 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 17.1 mtt -59.18 121.48 11.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.738 0.304 . . . . 0.0 110.878 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 8.2 t -88.24 119.25 28.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.87 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . 0.488 ' NE2' ' CD2' ' A' ' 134' ' ' LEU . 12.9 m80 -69.4 -49.63 53.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.851 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . 0.434 ' O ' ' C ' ' A' ' 142' ' ' ALA . 32.2 m120 -38.92 -46.53 1.33 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 141' ' ' ASN . . . -34.63 -52.07 0.5 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.134 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' ILE . . . . . 0.419 ' CD1' HG21 ' A' ' 102' ' ' ILE . 20.1 mt -41.91 112.07 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.153 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -84.25 145.96 28.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -96.07 154.75 17.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 127.12 -153.26 18.96 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.481 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 5.4 m -81.0 116.02 20.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.905 0.383 . . . . 0.0 110.859 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -86.44 -172.44 48.53 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.503 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . 0.466 ' O ' ' N ' ' A' ' 151' ' ' SER . 53.7 Cg_endo -69.74 -9.28 25.74 Favored 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.712 2.275 . . . . 0.0 112.315 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 149' ' ' PRO . 37.1 t -35.62 95.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.84 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . 0.466 ' N ' ' O ' ' A' ' 149' ' ' PRO . 57.2 p -49.05 -50.06 38.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.838 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.515 -179.981 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 14.6 t 45.59 41.82 7.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.863 0.363 . . . . 0.0 110.848 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.2 t -117.35 119.08 34.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.83 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 177.1 -79.93 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.494 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 47.3 p -116.72 -56.87 2.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.884 0.373 . . . . 0.0 110.858 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 29.6 t -93.56 89.45 6.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.842 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -97.13 130.96 10.43 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.453 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 4.2 mpp? -116.97 115.94 26.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.7 0.286 . . . . 0.0 110.932 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -153.74 144.73 22.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.846 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 42.5 t -67.53 132.33 47.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.847 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.487 ' HB3' ' CZ ' ' A' ' 75' ' ' ARG . 2.6 mmm180 -88.37 25.1 1.73 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.854 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 63.7 t -128.98 -40.0 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.127 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 32.0 p -119.98 -47.02 2.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 132.51 -40.76 1.57 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.523 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 80' ' ' LYS . 21.4 t0 -52.38 155.65 2.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.896 0.379 . . . . 0.0 110.815 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 79' ' ' ASP . 0.1 OUTLIER -36.25 153.84 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -113.22 126.92 55.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.066 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 11.1 t -55.29 -53.61 53.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.44 ' O ' ' CD2' ' A' ' 85' ' ' HIS . . . 172.99 -156.59 25.01 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.474 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.529 ' CZ ' ' HA2' ' A' ' 87' ' ' GLY . 2.9 t80 -68.46 130.02 41.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.902 0.382 . . . . 0.0 110.891 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.44 ' CD2' ' O ' ' A' ' 83' ' ' GLY . 78.4 m-70 -153.46 117.72 4.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.824 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 59.05 27.88 16.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.529 ' HA2' ' CZ ' ' A' ' 84' ' ' PHE . . . 88.58 -27.03 7.42 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.49 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.533 HG21 HD13 ' A' ' 136' ' ' LEU . 8.6 p -108.07 137.95 37.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.887 0.375 . . . . 0.0 111.109 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 64.9 m80 -74.87 97.56 3.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -115.41 171.73 7.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.06 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 14.8 p -101.21 169.37 8.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -51.32 -54.09 29.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -45.86 -71.67 0.48 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.497 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 56.3 m -53.14 -45.32 68.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.892 0.377 . . . . 0.0 110.849 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 27.9 ttmt -41.87 -59.11 1.8 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -57.29 -49.95 68.56 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.482 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.505 ' CE1' ' HD3' ' A' ' 129' ' ' ARG . 69.6 t80 -47.78 -68.58 0.17 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.843 0.354 . . . . 0.0 110.856 -179.818 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.577 ' CZ ' ' HB3' ' A' ' 138' ' ' MET . 87.1 t80 -43.3 -68.69 0.18 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.881 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 102' ' ' ILE . 0.0 OUTLIER -37.61 -63.03 0.48 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.921 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 20.5 ttt-85 -39.38 -46.43 1.63 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 22.3 m -59.92 -39.15 84.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.124 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.435 ' N ' ' O ' ' A' ' 99' ' ' ARG . 33.6 mm -71.98 -64.13 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.13 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 6.8 ptt180 -49.8 -34.17 18.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.886 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 66.7 mtp -91.26 -12.23 35.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.863 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 41.1 mtmt 51.79 46.14 27.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 42.6 mt -80.25 165.28 22.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.946 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -141.46 137.97 32.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.483 ' CE1' ' HB3' ' A' ' 126' ' ' GLN . 31.0 m-85 -113.8 155.65 25.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -72.66 138.5 46.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.89 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 2.5 ttmp? -49.93 117.01 2.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 18.3 t -104.45 93.15 4.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.939 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -61.48 -35.38 77.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.884 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 35.9 mtt180 -46.23 -21.03 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.4 m 46.18 49.89 12.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 13.8 m -42.89 163.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.874 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 4.9 mmmm -112.11 113.03 25.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.892 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 9.5 mm -70.68 103.19 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.129 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -97.81 178.24 5.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.933 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 37.8 pttt -84.33 -17.09 40.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 48.1 tttt -85.17 -43.82 13.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 53.4 m-20 -114.88 55.32 0.76 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.877 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 23.1 mtt85 -51.5 -22.99 3.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 12.4 p-10 -114.26 53.61 0.79 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.844 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -87.34 -59.95 2.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 34.0 t -115.11 143.71 44.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.483 ' HB3' ' CE1' ' A' ' 108' ' ' TYR . 19.8 mt-30 -84.63 -40.69 17.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . 0.48 ' CE2' ' HG3' ' A' ' 131' ' ' GLN . 61.6 t80 -72.23 -70.81 0.32 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . 0.419 ' C ' ' O ' ' A' ' 127' ' ' TYR . 98.1 m -36.6 -53.88 0.88 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.931 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.505 ' HD3' ' CE1' ' A' ' 97' ' ' PHE . 39.6 ttt180 -46.55 -56.47 5.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 27.5 t80 -59.32 -46.2 89.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . 0.48 ' HG3' ' CE2' ' A' ' 127' ' ' TYR . 12.5 mm100 -54.07 -58.51 7.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.836 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 42.0 tttt -39.92 -50.51 2.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 33.6 m -53.33 -54.07 41.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.927 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.402 HD12 ' HA ' ' A' ' 131' ' ' GLN . 35.5 mt -50.03 -45.71 52.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.916 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -60.2 -41.24 92.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.109 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.533 HD13 HG21 ' A' ' 88' ' ' VAL . 77.9 mt -59.92 -29.15 68.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 107.73 31.1 3.77 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.48 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . 0.577 ' HB3' ' CZ ' ' A' ' 98' ' ' PHE . 7.1 mtt -71.27 121.99 19.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.799 0.333 . . . . 0.0 110.888 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . 0.413 ' OG ' ' HB3' ' A' ' 142' ' ' ALA . 34.5 p -85.02 162.05 19.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 -179.803 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . 0.43 ' HA ' HD11 ' A' ' 143' ' ' ILE . 9.8 p80 -116.03 -27.8 6.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.815 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -82.47 -20.41 36.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . 0.413 ' HB3' ' OG ' ' A' ' 139' ' ' SER . . . -98.14 33.15 2.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.094 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' ILE . . . . . 0.43 HD11 ' HA ' ' A' ' 140' ' ' HIS . 64.6 mt -90.31 -37.08 9.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.131 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 22.0 ttp180 -129.88 153.9 47.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.917 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -117.23 129.08 55.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 156.75 71.87 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.484 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 6.1 t -74.78 132.67 41.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.936 0.398 . . . . 0.0 110.812 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -179.81 -162.48 28.85 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.499 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 96.37 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.679 2.252 . . . . 0.0 112.321 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 94.5 p -46.5 155.89 0.21 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 1.4 t -51.58 -59.72 3.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.831 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.488 179.977 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.8 t -94.56 98.94 11.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.869 0.366 . . . . 0.0 110.889 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 30.5 t -143.69 143.71 31.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -167.83 -178.75 40.04 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.484 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 28.1 t -82.81 45.99 1.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.911 0.386 . . . . 0.0 110.862 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 85.5 p -56.33 -46.93 79.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.858 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 99.32 -50.73 1.15 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.454 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 50.4 mtm -140.91 141.96 34.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.725 0.297 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -135.72 137.28 41.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 45.9 t -43.15 138.38 2.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 23.4 mmt85 -97.86 23.27 8.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.811 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 96.5 t -125.72 -42.06 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.126 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 29.1 p -115.37 -46.57 2.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 130.76 -31.34 3.24 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.476 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 80' ' ' LYS . 17.3 t70 -56.81 150.43 16.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.896 0.379 . . . . 0.0 110.922 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 79' ' ' ASP . 16.9 pttm -37.15 135.4 0.5 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -82.55 130.88 35.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.058 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 5.3 t -70.64 -50.5 36.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.832 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -170.33 -178.89 41.47 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.482 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -85.31 93.6 8.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.91 0.386 . . . . 0.0 110.873 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.524 ' CG ' ' HD3' ' A' ' 95' ' ' LYS . 22.8 m-70 -115.89 138.56 51.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.449 ' HE1' HD11 ' A' ' 143' ' ' ILE . 18.5 m-85 62.32 25.24 15.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 72.19 11.85 75.58 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.463 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.6 HG21 HD13 ' A' ' 136' ' ' LEU . 11.5 p -137.08 146.2 28.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.899 0.381 . . . . 0.0 111.166 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 50.7 m80 -77.68 92.55 4.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.841 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -117.61 166.05 12.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.135 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 26.4 p -100.08 172.44 7.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -59.98 -21.85 61.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -77.81 -72.92 1.11 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.454 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 62.5 m -48.68 -20.54 0.47 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.901 0.381 . . . . 0.0 110.89 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.524 ' HD3' ' CG ' ' A' ' 85' ' ' HIS . 2.7 mtmp? -70.64 -59.04 3.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -52.05 -37.55 45.74 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.504 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -61.04 -61.9 2.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.934 0.397 . . . . 0.0 110.929 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -48.99 -68.77 0.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.929 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 27.7 ttp180 -39.91 -49.06 2.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 15.5 ttp180 -58.04 -58.06 10.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 49.1 m -50.32 -20.74 1.16 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.146 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.427 HG21 ' CD2' ' A' ' 140' ' ' HIS . 45.8 mm -86.7 -63.26 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.119 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.437 ' HD2' ' CG ' ' A' ' 104' ' ' MET . 0.2 OUTLIER -60.68 -21.09 62.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.834 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . 0.437 ' CG ' ' HD2' ' A' ' 103' ' ' ARG . 33.2 mtp -96.33 -10.12 28.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.35 42.27 28.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 36.0 mt -79.87 147.36 31.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.439 ' O ' ' CD1' ' A' ' 108' ' ' TYR . 4.7 pt-20 -130.08 163.41 26.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.439 ' CD1' ' O ' ' A' ' 107' ' ' GLU . 40.3 m-85 -149.96 179.1 8.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.929 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -85.98 139.21 31.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.908 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.431 ' HA ' ' CE2' ' A' ' 127' ' ' TYR . 34.8 ttpt -57.36 143.98 37.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.94 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 9.3 t -132.14 107.75 8.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 114' ' ' SER . 5.2 mm-40 -80.02 -36.08 36.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 62.1 mtp180 -39.8 -28.35 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.829 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 115' ' ' CYS . 8.0 t 61.4 44.07 9.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.817 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . 0.446 ' C ' ' O ' ' A' ' 114' ' ' SER . 38.8 m -34.48 132.63 0.28 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 10.9 pttm -85.17 88.11 7.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.495 HD12 ' HA ' ' A' ' 129' ' ' ARG . 2.0 mt -66.88 111.02 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -119.09 166.97 12.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.908 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 22.2 pttm -54.14 -39.63 66.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 10.9 mmtp -59.35 -53.37 58.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.882 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -123.46 86.73 2.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 65.4 mtp180 -87.73 -37.35 16.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -87.81 48.47 1.65 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.857 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 6.8 tmtt? -95.21 -61.4 1.48 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.928 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 50.3 t -118.13 144.02 46.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 4.8 mp0 -86.68 -61.53 1.71 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.886 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . 0.431 ' CE2' ' HA ' ' A' ' 110' ' ' LYS . 19.0 t80 -48.06 -63.53 1.04 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.931 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 33.8 m -42.75 -47.09 5.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.905 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.495 ' HA ' HD12 ' A' ' 117' ' ' ILE . 28.4 ttt180 -52.07 -64.43 0.82 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.791 ' CE2' HD11 ' A' ' 134' ' ' LEU . 60.1 t80 -54.63 -46.99 73.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 50.1 mm-40 -51.92 -54.13 33.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.912 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 48.6 tttt -44.6 -46.96 10.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 9.2 m -55.46 -56.23 22.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.833 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.791 HD11 ' CE2' ' A' ' 130' ' ' PHE . 13.5 mt -57.53 -44.76 85.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -57.77 -41.13 81.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.101 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.6 HD13 HG21 ' A' ' 88' ' ' VAL . 50.1 mt -62.98 -30.41 71.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 121.06 18.67 3.78 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.504 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 6.2 mtt -61.5 105.83 0.57 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.788 0.328 . . . . 0.0 110.858 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 37.1 t -84.85 124.47 31.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.846 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . 0.427 ' CD2' HG21 ' A' ' 102' ' ' ILE . 1.6 t-80 -70.96 -33.76 70.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.843 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -43.2 -44.94 5.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . 0.435 ' O ' ' C ' ' A' ' 143' ' ' ILE . . . -41.05 -69.63 0.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.115 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' ILE . . . . . 0.68 HD12 ' H ' ' A' ' 143' ' ' ILE . 5.2 mp -34.8 -51.72 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.128 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.431 ' HD3' ' C ' ' A' ' 144' ' ' ARG . 0.3 OUTLIER -151.93 119.0 5.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' PHE . . . . . . . . . . . . . 44.5 p90 -145.4 121.49 10.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -127.27 -172.41 13.25 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.432 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 23.6 t -41.17 -54.13 2.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.869 0.366 . . . . 0.0 110.855 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 81.29 86.06 0.68 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.485 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -7.65 21.6 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.676 2.25 . . . . 0.0 112.391 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 13.3 t -88.15 -45.49 10.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 21.1 t 55.47 42.04 30.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.881 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.438 -179.999 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 59.7 p -61.61 127.93 33.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.879 0.371 . . . . 0.0 110.819 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 56.7 p -125.97 99.11 5.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.871 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 99.56 120.92 4.51 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.452 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.5 t -75.34 108.79 8.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.851 0.358 . . . . 0.0 110.888 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 45.1 m 41.27 44.62 2.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.884 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -82.41 -69.99 1.37 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.453 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 2.4 mpt? -145.57 132.18 19.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.766 0.317 . . . . 0.0 110.868 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -145.11 153.03 40.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.867 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 42.5 t -61.44 135.85 57.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.699 ' O ' HD11 ' A' ' 136' ' ' LEU . 17.1 mmt180 -93.38 24.89 3.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 69.7 t -129.0 -38.14 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.082 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 32.1 p -121.5 -46.67 2.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 129.37 -37.98 2.09 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.467 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -45.92 171.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.874 0.368 . . . . 0.0 110.855 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 10.2 pttp -57.29 142.57 42.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.869 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -87.65 120.26 28.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.086 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 31.4 t -69.99 -52.81 21.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -148.24 -159.95 8.74 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.499 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -120.91 87.78 2.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.867 0.365 . . . . 0.0 110.919 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 54.4 m-70 -105.08 145.52 30.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 60.9 26.93 16.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 61.74 20.2 59.3 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.439 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.538 HG21 ' HB3' ' A' ' 136' ' ' LEU . 4.2 p -137.43 131.13 44.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.87 0.367 . . . . 0.0 111.138 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 11.9 m80 -58.15 91.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -120.17 161.37 21.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.058 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 14.7 p -100.34 168.3 9.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.932 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -54.09 -51.8 63.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.845 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -47.49 -69.78 0.84 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.481 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . 0.43 ' O ' ' C ' ' A' ' 95' ' ' LYS . 64.2 m -55.97 -52.11 65.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.918 0.389 . . . . 0.0 110.895 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 94' ' ' CYS . 47.1 tttt -36.05 -60.3 0.56 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -54.38 -54.87 29.69 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.432 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.4 ' CE1' ' HD3' ' A' ' 129' ' ' ARG . 9.3 t80 -41.24 -51.96 3.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.875 0.369 . . . . 0.0 110.889 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -53.98 -68.75 0.15 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.847 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.449 ' NH1' ' O ' ' A' ' 143' ' ' ILE . 8.1 tpt180 -39.24 -50.36 1.95 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 35.4 ttm180 -59.46 -61.37 2.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.873 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 24.6 m -42.36 -25.62 0.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.182 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.687 HG21 HD11 ' A' ' 143' ' ' ILE . 26.1 mm -86.25 -65.51 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.14 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.448 ' HG3' ' N ' ' A' ' 104' ' ' MET . 15.2 ptt180 -48.82 -44.13 39.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.867 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . 0.448 ' N ' ' HG3' ' A' ' 103' ' ' ARG . 41.6 mtp -84.57 -6.64 59.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 56.6 mttt 45.97 41.07 7.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 13.6 mt -70.93 125.69 27.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 24.1 pm0 -105.44 164.22 12.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -139.35 176.0 9.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.958 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -86.86 136.77 32.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.411 ' HA ' ' CZ ' ' A' ' 127' ' ' TYR . 13.2 tppt? -45.3 150.35 0.44 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 17.0 t -143.44 118.53 10.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.849 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 113' ' ' ARG . 41.6 mt-10 -92.39 -40.87 10.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.84 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 112' ' ' GLU . 26.5 mmm-85 -37.01 -36.32 0.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.854 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 115' ' ' CYS . 1.1 t 71.57 37.54 1.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.753 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . 0.446 ' N ' ' SG ' ' A' ' 128' ' ' CYS . 7.0 m -34.7 148.11 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 48.5 mttt -104.86 120.63 41.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 18.0 mm -72.8 101.64 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.079 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.407 ' O ' ' N ' ' A' ' 122' ' ' ARG . 25.9 tp60 -96.66 142.98 28.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.935 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.404 ' O ' ' NH1' ' A' ' 122' ' ' ARG . 9.8 ptpp? -55.68 -45.1 77.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.27 -50.6 73.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 48.9 m-20 -127.39 66.12 1.31 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.893 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . 0.407 ' N ' ' O ' ' A' ' 118' ' ' GLN . 9.7 ptt-85 -74.61 -26.19 59.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.908 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -83.49 65.65 8.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.849 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 30.3 mttt -118.68 -64.14 1.32 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 19.2 t -114.63 139.34 49.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -87.79 -41.47 13.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.953 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . 0.411 ' CZ ' ' HA ' ' A' ' 110' ' ' LYS . 17.9 t80 -58.18 -68.37 0.26 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.96 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . 0.446 ' SG ' ' N ' ' A' ' 115' ' ' CYS . 89.0 m -47.54 -33.85 6.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.951 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.4 ' HD3' ' CE1' ' A' ' 97' ' ' PHE . 42.7 ttt85 -61.66 -53.18 59.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.923 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -67.65 -45.05 76.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 26.3 mm100 -53.35 -47.09 69.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 34.8 tttt -54.79 -45.67 74.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' CYS . . . . . 0.401 ' HA ' HD12 ' A' ' 136' ' ' LEU . 47.3 m -55.59 -38.85 69.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.894 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 20.8 mt -69.14 -46.14 68.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.959 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -58.07 -26.19 62.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.069 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.699 HD11 ' O ' ' A' ' 75' ' ' ARG . 80.3 mt -73.13 -15.94 61.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 97.15 2.08 59.32 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.506 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 17.4 mtt -41.38 115.46 0.62 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.796 0.332 . . . . 0.0 110.842 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 40.0 p -81.33 74.81 8.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.815 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . 0.525 ' CD2' ' N ' ' A' ' 141' ' ' ASN . 33.2 p-80 -49.36 -51.84 32.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.866 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . 0.525 ' N ' ' CD2' ' A' ' 140' ' ' HIS . 1.1 p-10 -38.28 -27.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . 0.482 ' N ' ' O ' ' A' ' 140' ' ' HIS . . . -81.63 42.31 0.68 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.145 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' ILE . . . . . 0.687 HD11 HG21 ' A' ' 102' ' ' ILE . 43.6 mm -58.85 -56.74 14.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 4.0 ptt180 -141.34 -175.97 4.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -113.05 132.98 55.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 95.05 -153.34 20.79 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.485 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 1.8 t -44.95 155.88 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.941 0.401 . . . . 0.0 110.878 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -160.55 96.27 0.15 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.519 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 107.75 1.93 Allowed 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 122.732 2.288 . . . . 0.0 112.308 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 14.8 t -104.58 146.65 28.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.836 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 37.7 m -151.03 127.97 11.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.876 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.502 -179.995 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.516 -0.233 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 59.9 p -56.08 107.55 0.37 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.858 0.361 . . . . 0.0 110.846 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.8 m -80.86 128.82 34.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.853 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -172.22 89.34 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.461 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 28.2 m -110.15 -45.45 3.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.839 0.352 . . . . 0.0 110.841 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.4 t -60.76 112.67 2.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.875 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -133.79 -120.81 2.13 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.51 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.534 ' HG3' ' HB3' ' A' ' 81' ' ' ALA . 1.0 OUTLIER -94.06 115.89 28.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.771 0.32 . . . . 0.0 110.844 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.674 ' C ' ' HB2' ' A' ' 81' ' ' ALA . 3.2 mt-10 -132.74 162.9 30.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 48.8 t -79.17 153.81 29.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.845 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 24.6 mmm180 -92.99 -31.99 14.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 70.2 t -70.99 -71.45 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.112 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.422 ' SG ' ' N ' ' A' ' 78' ' ' GLY . 23.7 p -85.73 -47.84 9.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.422 ' N ' ' SG ' ' A' ' 77' ' ' CYS . . . 126.73 -37.31 2.44 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.484 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.46 ' O ' ' C ' ' A' ' 80' ' ' LYS . 19.4 t70 -45.15 153.67 0.19 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.836 0.351 . . . . 0.0 110.873 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 79' ' ' ASP . 18.7 ttpt -33.34 134.61 0.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.923 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.674 ' HB2' ' C ' ' A' ' 73' ' ' GLU . . . -87.83 140.2 29.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.132 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 25.9 t -83.67 -48.22 10.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.841 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -158.96 -152.03 6.31 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.451 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.427 ' CZ ' ' O ' ' A' ' 87' ' ' GLY . 3.9 t80 -121.21 90.35 3.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.888 0.375 . . . . 0.0 110.849 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.424 ' O ' HG12 ' A' ' 88' ' ' VAL . 69.2 m-70 -105.79 141.4 37.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.88 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.41 ' HE2' HD11 ' A' ' 143' ' ' ILE . 17.6 m-85 60.94 33.61 19.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.427 ' O ' ' CZ ' ' A' ' 84' ' ' PHE . . . 60.85 19.31 55.64 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.506 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.424 HG12 ' O ' ' A' ' 85' ' ' HIS . 10.6 p -137.86 142.93 34.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.898 0.38 . . . . 0.0 111.134 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 41.5 m80 -73.87 93.59 2.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.849 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -123.69 165.84 16.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.171 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 19.0 p -101.83 164.74 11.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.871 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -53.94 -55.59 25.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -42.77 -62.52 2.23 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.504 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . 0.411 ' O ' ' C ' ' A' ' 95' ' ' LYS . 75.6 m -53.9 -53.19 56.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.919 0.39 . . . . 0.0 110.885 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 94' ' ' CYS . 5.6 ttpm? -37.52 -62.15 0.55 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.938 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -46.53 -44.7 16.72 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.478 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -60.04 -60.46 3.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.836 0.35 . . . . 0.0 110.831 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -50.72 -66.0 0.46 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 37.2 ttp85 -47.27 -46.62 24.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.84 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 23.7 ttp180 -56.17 -48.56 76.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 61.9 m -61.0 -24.45 66.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.142 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 20.7 mm -86.65 -65.51 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.097 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -50.72 -27.88 7.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 41.9 mtp -97.22 -16.67 20.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.873 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 18.7 mtmt 55.38 47.68 20.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 39.0 mt -84.17 143.8 29.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -105.72 160.39 15.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.894 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 57.5 m-85 -136.32 146.54 46.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -58.48 138.83 56.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.842 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 9.3 tppt? -63.16 119.76 10.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.908 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 42.6 t -115.26 108.68 16.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -74.81 -34.56 62.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 26.2 mtp180 -47.7 -21.69 0.41 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 115' ' ' CYS . 3.8 m 48.13 47.76 18.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 -179.775 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . 0.424 ' C ' ' O ' ' A' ' 114' ' ' SER . 9.3 m -36.23 144.92 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.896 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -93.87 113.49 25.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 7.9 mm -74.2 95.87 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.126 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -108.68 147.49 31.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 3.9 pttm -47.17 -51.34 18.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -42.98 -55.01 3.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.864 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -133.62 88.51 2.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -89.28 -34.63 16.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 55.4 t30 -82.41 65.53 7.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 19.5 mttm -116.96 -63.83 1.39 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 15.0 t -114.51 138.05 51.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.882 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -81.82 -53.89 5.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . 0.478 ' CE1' ' HG3' ' A' ' 131' ' ' GLN . 43.1 t80 -51.62 -65.73 0.51 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.923 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 82.7 m -47.19 -44.31 22.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.901 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -54.23 -48.66 70.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.832 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.499 ' CE2' HD11 ' A' ' 134' ' ' LEU . 51.8 t80 -66.04 -49.04 69.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . 0.478 ' HG3' ' CE1' ' A' ' 127' ' ' TYR . 78.2 mm-40 -49.49 -47.19 48.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 27.5 tttp -49.56 -48.52 48.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 87.5 m -53.57 -49.02 68.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.499 HD11 ' CE2' ' A' ' 130' ' ' PHE . 69.1 mt -62.29 -39.01 91.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.879 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -65.4 -40.35 93.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.072 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 70.7 mt -60.0 -25.43 65.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 104.21 22.81 8.45 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.47 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 8.5 mtt -66.67 107.33 2.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.794 0.331 . . . . 0.0 110.868 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 2.9 t -60.49 119.12 7.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.833 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . 0.48 ' CG ' ' N ' ' A' ' 141' ' ' ASN . 37.7 p-80 -81.48 -49.2 10.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.877 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . 0.48 ' N ' ' CG ' ' A' ' 140' ' ' HIS . 18.4 t-20 -44.87 -48.16 11.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 141' ' ' ASN . . . -36.45 -47.22 0.6 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.108 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' ILE . . . . . 0.41 HD11 ' HE2' ' A' ' 86' ' ' TYR . 27.5 mt -61.47 107.59 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.155 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 12.3 mmm180 -48.58 145.56 3.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.863 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' PHE . . . . . . . . . . . . . 32.0 p90 -96.2 126.07 41.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 147' ' ' SER . . . -93.31 -84.34 1.57 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.513 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 146' ' ' GLY . 89.7 p -34.5 139.95 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.927 0.394 . . . . 0.0 110.832 -179.764 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 166.53 -73.53 0.16 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.514 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . 0.453 ' O ' ' C ' ' A' ' 150' ' ' SER . 53.7 Cg_endo -69.79 3.28 2.88 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.683 2.255 . . . . 0.0 112.352 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 149' ' ' PRO . 4.0 m -34.48 144.37 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 8.6 t -40.99 139.09 0.94 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.469 -179.94 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 36.1 p -66.61 124.59 23.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.909 0.385 . . . . 0.0 110.84 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 83.6 p -107.15 -43.9 4.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.86 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -140.35 -174.18 13.75 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.502 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 84.8 p -61.17 157.62 15.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.868 0.366 . . . . 0.0 110.863 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 7.7 t -39.31 122.93 1.35 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.853 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -74.26 172.47 51.91 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.474 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.498 ' SD ' ' CD2' ' A' ' 89' ' ' HIS . 5.1 ttm -126.54 163.84 22.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.739 0.304 . . . . 0.0 110.896 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -147.8 141.65 25.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.909 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 39.7 t -66.98 138.21 57.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.668 ' O ' HD11 ' A' ' 136' ' ' LEU . 1.5 mmp_? -90.62 29.64 1.28 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.502 HG22 ' CD1' ' A' ' 136' ' ' LEU . 87.0 t -134.85 -39.89 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.136 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 31.3 p -125.66 -46.92 1.71 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.885 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 135.84 -35.0 2.2 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.509 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -50.65 151.5 2.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.9 0.381 . . . . 0.0 110.871 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 10.3 ttmm -39.26 137.5 0.74 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.948 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 82' ' ' SER . . . -74.48 83.65 1.99 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.075 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 81' ' ' ALA . 29.4 t -34.96 -52.08 0.54 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.85 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -156.06 -166.26 15.73 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.483 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.462 ' CE2' ' HA2' ' A' ' 87' ' ' GLY . 26.3 t80 -114.74 88.55 2.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.924 0.392 . . . . 0.0 110.905 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 46.6 m-70 -104.73 155.83 18.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.826 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 52.96 26.41 4.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.462 ' HA2' ' CE2' ' A' ' 84' ' ' PHE . . . 63.61 18.08 60.96 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.445 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.545 HG21 ' HB3' ' A' ' 136' ' ' LEU . 7.7 p -135.89 131.05 49.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.857 0.361 . . . . 0.0 111.088 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.498 ' CD2' ' SD ' ' A' ' 72' ' ' MET . 11.4 m80 -57.17 99.4 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -133.53 167.4 20.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.049 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 16.7 p -100.01 171.91 7.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.841 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 93' ' ' GLY . 11.1 pt-20 -62.77 -51.13 68.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.413 ' N ' ' HG3' ' A' ' 92' ' ' GLU . . . -45.54 -70.46 0.63 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.445 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . 0.466 ' O ' ' N ' ' A' ' 97' ' ' PHE . 95.4 m -43.54 -56.53 3.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.915 0.388 . . . . 0.0 110.893 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 94' ' ' CYS . 18.2 ttmt -35.23 -55.74 0.62 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -53.72 -39.41 61.27 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.487 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.466 ' N ' ' O ' ' A' ' 94' ' ' CYS . 8.2 t80 -67.07 -50.61 61.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.918 0.39 . . . . 0.0 110.883 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -57.92 -58.77 6.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.82 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.469 ' HG3' HD12 ' A' ' 143' ' ' ILE . 26.2 ttp180 -55.94 -52.95 62.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 18.0 ttt180 -46.52 -51.7 14.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 99.6 m -57.71 -31.6 66.57 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.134 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 30.6 mm -79.73 -65.63 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -49.53 -34.96 18.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 76.5 mtp -89.03 -19.0 26.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 17.4 mmtp 58.72 37.59 25.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 39.9 mt -72.11 139.03 48.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.938 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -102.35 162.97 12.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -137.62 175.26 9.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.935 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -101.66 135.24 43.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.93 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 35.3 ttmt -50.05 115.5 1.44 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 50.0 t -105.23 94.44 5.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 113' ' ' ARG . 36.3 mt-10 -62.44 -44.72 95.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 112' ' ' GLU . 0.1 OUTLIER -35.79 -45.31 0.38 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 -179.937 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.7 t 73.0 46.56 0.23 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . 0.451 ' N ' ' SG ' ' A' ' 128' ' ' CYS . 8.2 m -39.56 142.61 0.28 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.845 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 15.1 ttmt -91.15 110.27 21.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.872 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 14.0 mm -67.4 121.61 16.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -121.97 168.16 12.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 3.9 pttp -74.5 -23.13 58.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.939 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -78.19 -49.93 12.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -124.21 74.5 1.31 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 30.3 ptt180 -80.96 -35.92 31.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 5.7 p-10 -85.08 44.95 1.12 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 16.5 tptp -95.15 -59.73 1.83 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.901 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 17.3 t -117.34 129.11 55.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.937 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 19.8 mp0 -75.93 -44.42 40.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -59.56 -66.91 0.44 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . 0.451 ' SG ' ' N ' ' A' ' 115' ' ' CYS . 67.7 m -44.59 -58.15 3.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.873 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.421 ' HG2' ' CE1' ' A' ' 97' ' ' PHE . 3.0 tpp85 -41.03 -57.28 2.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.906 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -55.94 -54.01 49.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.871 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . 0.441 ' OE1' HD12 ' A' ' 134' ' ' LEU . 10.2 mm100 -42.13 -49.19 4.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 44.6 tttt -48.11 -48.1 34.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' CYS . . . . . 0.428 ' O ' ' N ' ' A' ' 136' ' ' LEU . 81.3 m -54.57 -60.37 3.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.837 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.441 HD12 ' OE1' ' A' ' 131' ' ' GLN . 98.7 mt -42.23 -36.74 1.29 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -74.88 -36.43 62.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.073 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.668 HD11 ' O ' ' A' ' 75' ' ' ARG . 37.9 mt -61.19 -24.24 66.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 92.98 27.59 13.55 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.475 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 28.3 mtt -63.1 172.19 1.93 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.781 0.324 . . . . 0.0 110.898 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 4.1 m -125.86 102.08 7.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 2.4 p-80 -71.71 -45.01 63.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.846 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -53.62 -41.81 67.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -39.37 -40.3 0.78 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.132 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' ILE . . . . . 0.469 HD12 ' HG3' ' A' ' 99' ' ' ARG . 32.9 mm -45.03 113.19 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 18.6 ptt180 -136.41 107.84 6.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' PHE . . . . . 0.473 ' CD2' ' O ' ' A' ' 145' ' ' PHE . 28.4 p90 -87.0 36.92 0.74 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 66.33 -134.29 33.53 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.492 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . 0.452 ' O ' ' C ' ' A' ' 148' ' ' GLY . 2.5 m 56.41 41.21 29.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.929 0.395 . . . . 0.0 110.835 -179.744 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 147' ' ' SER . . . -34.07 106.51 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.456 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -7.23 20.52 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.724 2.283 . . . . 0.0 112.369 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 3.6 m -53.08 152.28 4.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 66.2 m -136.3 161.77 34.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.907 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.542 179.963 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.527 -0.229 . . . . 0.0 112.527 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.1 t -83.51 42.16 0.82 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.913 0.387 . . . . 0.0 110.856 -179.744 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.4 t -158.1 149.27 21.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.909 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 69' ' ' SER . . . -85.94 124.72 6.99 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.475 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 68' ' ' GLY . 50.4 m -35.13 -53.0 0.6 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.847 0.356 . . . . 0.0 110.845 -179.731 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.6 m 52.99 42.7 32.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.84 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -150.8 159.9 28.36 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.467 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.405 ' HG3' ' NE2' ' A' ' 89' ' ' HIS . 36.2 mmt -80.53 147.4 30.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.725 0.298 . . . . 0.0 110.862 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -116.53 143.23 45.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 44.6 t -54.28 128.87 33.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.918 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.62 ' O ' HD11 ' A' ' 136' ' ' LEU . 24.2 mmt180 -86.9 24.08 1.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.832 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 96.8 t -125.17 -47.11 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.138 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 26.8 p -110.56 -48.12 3.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.895 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 132.35 -34.69 2.47 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.503 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -48.92 176.6 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.835 0.35 . . . . 0.0 110.898 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 14.8 tptm -73.25 119.25 17.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -55.76 164.25 1.17 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.077 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 31.0 t -120.0 -46.72 2.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.805 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -150.54 148.82 20.42 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.549 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -76.65 87.99 3.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.878 0.37 . . . . 0.0 110.869 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 69.3 m-70 -107.08 153.61 22.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.846 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.486 ' HB2' HG12 ' A' ' 88' ' ' VAL . 22.4 m-85 51.73 32.15 9.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.878 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 57.92 20.93 43.08 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.486 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.755 HG11 ' HG2' ' A' ' 138' ' ' MET . 6.2 p -138.0 135.68 45.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.84 0.353 . . . . 0.0 111.12 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.405 ' NE2' ' HG3' ' A' ' 72' ' ' MET . 21.7 m80 -65.63 92.37 0.14 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -119.02 167.72 11.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.045 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 20.2 p -101.67 179.21 4.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -64.16 -49.9 70.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -53.5 -72.72 0.49 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.519 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 90.3 m -40.53 -53.63 2.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.902 0.382 . . . . 0.0 110.9 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 57.5 tttp -38.44 -59.28 0.92 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -52.25 -43.91 57.41 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.457 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.555 ' CZ ' ' HD3' ' A' ' 129' ' ' ARG . 83.4 t80 -56.1 -63.21 1.26 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.831 0.348 . . . . 0.0 110.86 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -45.99 -65.8 0.49 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.413 ' O ' ' N ' ' A' ' 102' ' ' ILE . 35.1 ttt-85 -47.37 -60.35 2.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.822 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 39.4 ttm180 -39.32 -54.39 1.86 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.514 HG23 ' HB2' ' A' ' 106' ' ' LEU . 42.9 m -55.28 -36.95 66.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.135 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.434 HG21 HG13 ' A' ' 143' ' ' ILE . 44.9 mm -70.61 -63.69 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.092 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -54.94 -31.12 60.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 58.8 mtp -93.69 -18.6 21.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' A' ' 101' ' ' THR . 20.5 mmmt 56.97 47.26 17.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.514 ' HB2' HG23 ' A' ' 101' ' ' THR . 28.5 mt -73.44 136.22 44.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.933 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -100.36 153.93 18.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.404 ' CE1' ' HB3' ' A' ' 126' ' ' GLN . 22.2 m-85 -135.58 178.28 7.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -111.3 139.58 46.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.921 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 1.3 ttmp? -54.89 105.08 0.14 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 12.3 t -92.43 97.16 10.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 114' ' ' SER . 20.6 mm-40 -63.84 -41.99 97.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 52.2 mtt180 -39.37 -27.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.848 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 112' ' ' GLU . 4.0 m 54.75 45.99 25.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 -179.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 5.6 m -42.16 147.16 0.25 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.861 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -91.76 111.72 23.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 50.0 mm -67.16 87.67 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.148 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -84.81 152.7 23.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.944 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.462 ' HG3' ' N ' ' A' ' 120' ' ' LYS . 12.0 pttm -63.29 -40.11 96.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.462 ' N ' ' HG3' ' A' ' 119' ' ' LYS . 5.4 mtpm? -55.37 -53.01 61.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -119.6 88.28 2.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.87 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 92.8 mtm-85 -79.38 -40.64 29.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.842 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 35.7 m120 -81.97 44.31 0.83 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 26.8 tptt -90.24 -57.73 2.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 11.9 t -118.39 142.9 47.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.878 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.404 ' HB3' ' CE1' ' A' ' 108' ' ' TYR . 46.9 mt-30 -86.71 -47.06 9.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . 0.467 ' CE2' ' HG3' ' A' ' 131' ' ' GLN . 55.6 t80 -66.78 -67.9 0.42 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.953 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 95.8 m -42.01 -42.74 2.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.883 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.555 ' HD3' ' CZ ' ' A' ' 97' ' ' PHE . 58.2 ttt180 -57.02 -63.29 1.26 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.457 ' HE2' HD11 ' A' ' 134' ' ' LEU . 63.0 t80 -55.5 -45.17 77.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . 0.467 ' HG3' ' CE2' ' A' ' 127' ' ' TYR . 17.4 mm-40 -48.3 -54.8 12.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 28.2 tttp -46.57 -48.52 19.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.932 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 69.7 m -52.5 -57.73 8.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.457 HD11 ' HE2' ' A' ' 130' ' ' PHE . 83.7 mt -47.46 -45.07 25.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.92 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -55.88 -44.62 78.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.106 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.62 HD11 ' O ' ' A' ' 75' ' ' ARG . 24.0 mt -60.99 -29.87 69.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 99.49 35.07 4.8 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.492 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . 0.755 ' HG2' HG11 ' A' ' 88' ' ' VAL . 23.4 mtp -66.6 99.09 0.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.772 0.32 . . . . 0.0 110.919 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 19.2 m -44.75 107.18 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.835 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 26.8 p-80 -72.12 -41.54 67.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.846 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . 0.408 ' O ' ' C ' ' A' ' 142' ' ' ALA . 31.3 t30 -57.89 -39.24 77.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . 0.445 ' O ' ' C ' ' A' ' 143' ' ' ILE . . . -37.45 -48.4 0.95 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.115 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' ILE . . . . . 0.445 ' C ' ' O ' ' A' ' 142' ' ' ALA . 51.7 mm -34.02 110.39 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.113 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 15.6 mtp180 -68.58 110.44 4.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.86 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -54.26 -56.39 18.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 109.01 77.65 1.0 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.49 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 37.8 p -71.77 154.23 41.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.891 0.377 . . . . 0.0 110.855 -179.71 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 96.85 -140.26 14.95 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.51 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 88.86 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.714 2.276 . . . . 0.0 112.332 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 9.7 m -93.61 164.29 13.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.833 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 50.7 m -97.6 112.17 24.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.856 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.379 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.512 -179.999 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 62.5 p -143.53 175.22 10.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.859 0.362 . . . . 0.0 110.854 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 99.5 p -109.48 123.43 49.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -136.59 -129.45 2.8 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.507 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.3 m -100.02 40.34 1.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.874 0.369 . . . . 0.0 110.83 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 36.5 m -60.92 -57.29 13.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -92.4 162.34 26.87 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.498 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.52 ' HG3' ' HB3' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -71.03 157.07 38.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.738 0.304 . . . . 0.0 110.837 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -150.13 145.24 26.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.528 ' O ' ' N ' ' A' ' 78' ' ' GLY . 22.3 t -72.7 110.07 6.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 35.4 mtt-85 -49.32 -35.15 17.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.423 ' HB ' ' SG ' ' A' ' 74' ' ' CYS . 5.2 t -61.84 -71.67 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.15 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.832 ' HA ' HG22 ' A' ' 117' ' ' ILE . 28.7 p -98.7 -45.28 6.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.836 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.528 ' N ' ' O ' ' A' ' 74' ' ' CYS . . . 125.43 -32.37 3.93 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.5 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -44.32 159.61 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.898 0.38 . . . . 0.0 110.861 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -42.45 127.66 3.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.52 ' HB3' ' HG3' ' A' ' 72' ' ' MET . . . -75.01 152.52 38.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.112 179.799 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 19.2 m -104.39 -43.89 5.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -165.45 170.22 40.25 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.446 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.448 ' CE2' ' HA2' ' A' ' 87' ' ' GLY . 6.5 t80 -87.71 89.18 7.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.905 0.383 . . . . 0.0 110.884 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 65.8 m-70 -110.45 132.78 53.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 69.16 29.64 4.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.95 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.448 ' HA2' ' CE2' ' A' ' 84' ' ' PHE . . . 64.05 12.66 50.22 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.525 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 7.2 p -134.32 140.21 46.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.866 0.365 . . . . 0.0 111.119 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 9.1 m80 -71.61 100.21 2.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -120.38 161.03 21.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.107 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 16.4 p -101.2 155.81 17.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -47.46 -46.13 26.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.912 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -53.5 -42.48 65.91 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.458 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 60.9 m -79.1 -57.29 3.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.879 0.371 . . . . 0.0 110.849 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -40.19 -53.67 2.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -57.0 -37.91 82.11 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.494 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.475 ' CD2' ' HG2' ' A' ' 129' ' ' ARG . 4.1 t80 -65.01 -63.25 1.15 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.915 0.388 . . . . 0.0 110.931 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.45 ' N ' ' CD2' ' A' ' 97' ' ' PHE . 42.8 t80 -49.06 -56.93 7.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.889 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 27.5 ttm180 -53.37 -53.48 50.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 30.0 ttp180 -50.96 -46.14 61.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.825 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 24.4 m -61.93 -29.13 70.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.14 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.782 HG21 HG13 ' A' ' 143' ' ' ILE . 30.8 mm -79.54 -62.9 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.121 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 1.6 ptp180 -54.0 -25.12 19.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 36.6 mtp -102.29 -9.13 20.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 56.8 mttp 47.49 45.04 17.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 37.1 mt -79.96 176.78 9.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.937 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -146.29 155.18 42.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.942 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.417 ' CE2' ' HB3' ' A' ' 126' ' ' GLN . 46.4 m-85 -132.52 134.76 45.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -47.52 131.92 13.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 22.9 ttpt -51.86 115.59 1.74 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 42.8 t -94.78 96.8 9.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -62.43 -31.91 72.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 6.2 mpt_? -52.84 -21.37 4.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.8 m 46.3 47.69 13.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.839 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . 0.433 ' N ' ' SG ' ' A' ' 128' ' ' CYS . 17.7 m -42.45 157.2 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 17.0 mtpp -103.78 113.12 26.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.935 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.832 HG22 ' HA ' ' A' ' 77' ' ' CYS . 23.6 mm -63.26 93.6 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.107 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -101.81 144.81 30.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 26.0 ttpt -54.59 -43.13 71.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.476 ' O ' ' CG ' ' A' ' 121' ' ' ASN . 0.0 OUTLIER -58.38 -37.96 76.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 179.901 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . 0.476 ' CG ' ' O ' ' A' ' 120' ' ' LYS . 13.6 m120 -170.82 121.39 0.57 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 6.3 mpt_? -72.14 1.6 7.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . 0.424 ' O ' ' C ' ' A' ' 124' ' ' LYS . 7.8 t-20 75.08 36.09 0.56 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 123' ' ' ASN . 7.5 mtmp? 35.35 37.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 2.7 t -109.57 126.58 53.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.417 ' HB3' ' CE2' ' A' ' 108' ' ' TYR . 2.9 mp0 -85.92 -43.98 12.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . 0.463 ' CE2' ' HG3' ' A' ' 131' ' ' GLN . 64.6 t80 -58.57 -66.82 0.43 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . 0.433 ' SG ' ' N ' ' A' ' 115' ' ' CYS . 61.6 m -43.59 -32.74 1.0 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.475 ' HG2' ' CD2' ' A' ' 97' ' ' PHE . 7.7 tpp85 -66.49 -44.34 82.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.851 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -68.91 -44.08 73.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . 0.463 ' HG3' ' CE2' ' A' ' 127' ' ' TYR . 53.8 mm-40 -50.8 -55.46 16.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 45.7 tttt -52.46 -56.94 11.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.917 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 51.7 m -42.8 -42.63 3.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 98.4 mt -67.48 -42.58 82.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.949 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -65.12 -35.95 82.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.088 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 72.4 mt -60.6 -27.25 67.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 109.3 6.69 29.23 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.442 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 9.3 mtt -53.14 115.32 1.82 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.823 0.344 . . . . 0.0 110.894 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 44.0 p -76.73 121.7 23.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.87 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . 0.439 ' CG ' ' N ' ' A' ' 141' ' ' ASN . 51.2 p-80 -69.11 -47.46 65.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . 0.439 ' N ' ' CG ' ' A' ' 140' ' ' HIS . 0.5 OUTLIER -44.54 -37.23 3.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . 0.451 ' O ' ' C ' ' A' ' 143' ' ' ILE . . . -44.76 -43.03 8.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.139 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' ILE . . . . . 0.782 HG13 HG21 ' A' ' 102' ' ' ILE . 21.6 mm -33.8 108.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.12 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 14.5 mmt180 -133.05 175.17 9.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.866 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 50.82 43.89 28.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -60.98 -63.13 5.2 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.482 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 35.9 t -153.38 147.7 25.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.884 0.373 . . . . 0.0 110.904 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . 0.41 ' HA2' ' HD2' ' A' ' 149' ' ' PRO . . . 151.97 95.47 0.12 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.483 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . 0.41 ' HD2' ' HA2' ' A' ' 148' ' ' GLY . 53.4 Cg_endo -69.77 160.65 48.93 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.648 2.232 . . . . 0.0 112.324 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 2.2 t -153.41 132.31 12.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 3.6 m -73.08 130.89 41.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.891 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.503 -179.975 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.9 m -51.97 106.93 0.16 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.893 0.378 . . . . 0.0 110.84 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 73.3 m -91.51 42.54 1.11 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.902 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 154.31 110.74 0.39 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.692 -0.765 . . . . 0.0 112.446 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 57.9 m -134.43 113.38 11.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.893 0.378 . . . . 0.0 110.839 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 61.7 p -45.43 120.19 2.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.859 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -101.26 -55.95 0.89 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.477 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -56.88 124.07 17.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.777 0.323 . . . . 0.0 110.866 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.559 ' C ' ' HB2' ' A' ' 81' ' ' ALA . 13.2 pt-20 -135.02 152.24 51.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.931 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 42.2 t -58.98 150.89 23.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.927 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.483 ' HB3' HD22 ' A' ' 136' ' ' LEU . 24.3 mmm180 -100.43 -29.41 12.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 36.2 t -71.38 -62.71 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.12 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 14.8 p -97.97 -40.87 8.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.903 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 79' ' ' ASP . . . 122.24 -42.18 1.69 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.441 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.441 ' O ' ' C ' ' A' ' 80' ' ' LYS . 9.5 t70 -36.8 152.04 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.856 0.36 . . . . 0.0 110.843 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 79' ' ' ASP . 13.2 ptmt -33.99 141.87 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.559 ' HB2' ' C ' ' A' ' 73' ' ' GLU . . . -91.94 122.14 34.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.132 179.82 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.0 t -73.66 -43.73 58.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 -179.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -158.67 -165.55 16.06 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.51 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -117.24 90.46 3.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.839 0.352 . . . . 0.0 110.896 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 56.3 m-70 -107.65 144.42 34.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 61.2 29.74 18.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.954 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 59.76 19.77 50.44 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.483 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.555 HG21 ' HB3' ' A' ' 136' ' ' LEU . 7.7 p -139.8 129.75 29.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.893 0.378 . . . . 0.0 111.113 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 17.7 m80 -58.24 102.43 0.11 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -131.41 153.09 50.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.128 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 17.6 p -92.29 172.98 8.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.845 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -61.21 -52.48 64.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -46.23 -69.58 0.81 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.445 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . 0.417 ' O ' ' C ' ' A' ' 95' ' ' LYS . 93.6 m -47.41 -55.5 8.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.895 0.378 . . . . 0.0 110.886 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 94' ' ' CYS . 6.0 ttpm? -36.92 -59.53 0.69 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -44.02 -44.98 7.59 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.471 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.498 ' CE2' ' HG2' ' A' ' 129' ' ' ARG . 62.3 t80 -61.3 -66.41 0.54 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.932 0.396 . . . . 0.0 110.927 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -48.26 -61.47 1.97 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.936 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.551 ' HG3' HD13 ' A' ' 143' ' ' ILE . 28.0 ttp180 -43.26 -58.94 2.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.853 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 18.9 ttm180 -46.69 -41.75 15.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.472 ' HA ' HD12 ' A' ' 106' ' ' LEU . 26.6 m -67.35 -25.62 66.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.152 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 21.6 mm -83.14 -60.83 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.119 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.402 ' NH1' ' HG3' ' A' ' 104' ' ' MET . 7.3 ptm180 -49.77 -42.82 47.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . 0.459 ' O ' ' C ' ' A' ' 105' ' ' LYS . 25.5 mmm -99.78 11.41 39.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.459 ' C ' ' O ' ' A' ' 104' ' ' MET . 44.7 mmtt 33.79 45.28 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.472 HD12 ' HA ' ' A' ' 101' ' ' THR . 13.1 mt -64.33 126.03 26.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -100.04 158.1 16.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -141.18 175.23 9.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.937 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -96.81 130.99 43.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.517 ' HA ' ' CZ ' ' A' ' 127' ' ' TYR . 63.8 tttt -46.42 133.0 10.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 48.0 t -112.25 102.92 11.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 113' ' ' ARG . 37.2 mt-10 -63.67 -43.95 95.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.917 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.435 ' C ' ' O ' ' A' ' 112' ' ' GLU . 48.7 mtp180 -35.24 -35.57 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.861 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.416 ' N ' ' O ' ' A' ' 112' ' ' GLU . 9.4 t 62.84 45.9 5.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.815 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 4.6 m -47.18 159.28 0.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.839 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 11.9 ptpt -113.21 116.68 30.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.866 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 8.7 mm -74.4 117.5 18.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.195 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 37.3 mm-40 -123.48 159.1 29.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.873 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.449 ' HG3' ' N ' ' A' ' 120' ' ' LYS . 10.6 ptpp? -56.45 -50.38 71.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.449 ' N ' ' HG3' ' A' ' 119' ' ' LYS . 34.0 mmtp -47.81 -54.98 10.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.855 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -124.3 90.38 3.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.842 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 54.7 mtm180 -80.92 -44.63 17.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -80.14 52.34 1.53 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 5.0 mmmm -89.57 -60.12 2.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.934 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 40.2 t -116.97 149.2 40.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -88.28 -40.76 13.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.917 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . 0.517 ' CZ ' ' HA ' ' A' ' 110' ' ' LYS . 33.1 t80 -77.36 -69.94 0.5 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.947 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . 0.409 ' C ' ' O ' ' A' ' 127' ' ' TYR . 90.0 m -36.56 -44.76 0.47 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.886 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.498 ' HG2' ' CE2' ' A' ' 97' ' ' PHE . 40.5 ttt85 -52.29 -57.88 8.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.852 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -57.91 -47.13 83.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 25.0 mm-40 -49.57 -55.61 12.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.942 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 20.0 tttp -41.6 -54.34 3.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.948 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 36.1 m -46.84 -58.65 3.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 66.0 mt -49.95 -44.9 50.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -67.99 -32.22 72.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.089 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.555 ' HB3' HG21 ' A' ' 88' ' ' VAL . 25.8 mt -65.94 -27.81 68.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.947 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 116.63 22.97 4.19 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.451 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 15.7 mtt -75.36 177.02 6.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.807 0.337 . . . . 0.0 110.828 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 3.1 m -156.56 171.56 20.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 21.1 p80 -117.58 -174.91 2.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . 0.442 ' CG ' ' O ' ' A' ' 141' ' ' ASN . 28.6 t30 51.9 34.05 12.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -124.01 -35.92 2.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.139 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' ILE . . . . . 0.551 HD13 ' HG3' ' A' ' 99' ' ' ARG . 18.5 mt -42.96 123.41 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.155 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 10.4 tpp180 -92.55 131.48 37.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -148.92 142.06 24.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -46.86 -69.81 0.8 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.489 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 23.0 t -91.95 158.34 16.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.846 0.355 . . . . 0.0 110.882 -179.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . 0.471 ' C ' ' H ' ' A' ' 150' ' ' SER . . . -102.94 -72.44 0.92 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.491 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 18.79 0.19 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.654 2.236 . . . . 0.0 112.332 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . 0.471 ' H ' ' C ' ' A' ' 148' ' ' GLY . 27.9 t -75.31 55.4 0.77 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.861 -179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 66.9 p -175.56 114.0 0.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.853 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.509 179.986 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.456 -0.257 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 44.4 t -98.94 131.59 44.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.863 0.363 . . . . 0.0 110.857 -179.732 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 31.7 m -64.16 112.03 2.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.851 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 47.08 82.35 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.473 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 87.5 p -78.67 46.33 0.65 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.906 0.384 . . . . 0.0 110.864 -179.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.8 m -58.12 -44.97 88.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.884 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 69.45 -131.66 24.53 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.444 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 2.5 mpp? -119.03 117.8 29.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.712 0.291 . . . . 0.0 110.894 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.401 ' C ' ' HB2' ' A' ' 81' ' ' ALA . 21.0 mt-10 -103.24 169.2 8.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.889 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 47.2 t -79.68 130.04 35.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.888 ' O ' HD11 ' A' ' 136' ' ' LEU . 32.0 mmt180 -84.72 27.13 0.76 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.834 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.516 HG22 ' CD1' ' A' ' 136' ' ' LEU . 59.2 t -131.35 -44.23 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.144 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 29.0 p -117.29 -47.56 2.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 131.21 -37.07 2.14 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.501 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -47.71 154.26 0.5 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.826 0.346 . . . . 0.0 110.916 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -44.97 127.85 6.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.401 ' HB2' ' C ' ' A' ' 73' ' ' GLU . . . -68.89 126.58 30.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 179.803 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.9 m -75.2 -49.58 18.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -151.42 -154.6 6.62 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.455 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -127.01 92.82 3.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.889 0.376 . . . . 0.0 110.89 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 60.3 m-70 -111.17 156.47 21.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.864 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.418 ' CE2' ' CD2' ' A' ' 98' ' ' PHE . 10.8 m-85 50.58 27.41 2.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.85 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 59.99 26.53 63.36 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.482 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.795 HG21 ' HB3' ' A' ' 136' ' ' LEU . 9.9 p -142.41 123.98 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.848 0.356 . . . . 0.0 111.154 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 12.8 m80 -52.76 90.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.837 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.412 ' N ' ' O ' ' A' ' 88' ' ' VAL . . . -120.6 169.03 10.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.095 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 15.4 p -105.23 172.15 6.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.854 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -59.45 -53.81 53.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.89 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -43.78 -63.55 2.19 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.513 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . 0.433 ' O ' ' C ' ' A' ' 95' ' ' LYS . 73.3 m -57.95 -53.83 53.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.953 0.406 . . . . 0.0 110.917 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 94' ' ' CYS . 0.6 OUTLIER -35.58 -58.24 0.6 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.874 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -57.12 -42.24 93.07 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.488 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.585 ' CZ ' ' HD3' ' A' ' 129' ' ' ARG . 47.1 t80 -56.15 -57.13 13.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.913 0.387 . . . . 0.0 110.895 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.418 ' CD2' ' CE2' ' A' ' 86' ' ' TYR . 74.5 t80 -49.74 -61.44 2.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.895 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 20.7 ttp180 -53.06 -50.91 63.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.843 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 22.5 ttp180 -50.61 -42.56 56.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.602 HG21 ' CD1' ' A' ' 130' ' ' PHE . 72.8 m -64.82 -34.83 79.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.14 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.541 HG21 ' ND1' ' A' ' 140' ' ' HIS . 28.3 mm -74.78 -66.01 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.094 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.442 ' HG3' ' N ' ' A' ' 104' ' ' MET . 0.4 OUTLIER -40.54 -38.2 0.82 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.876 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . 0.677 ' HE2' HD11 ' A' ' 106' ' ' LEU . 5.8 mtm -91.77 -21.1 20.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 102' ' ' ILE . 7.4 mmmm 62.05 48.17 5.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.677 HD11 ' HE2' ' A' ' 104' ' ' MET . 14.4 mt -75.48 146.54 40.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -120.47 149.85 41.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.89 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -137.41 157.92 45.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.945 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -69.87 167.65 16.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.846 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 11.4 tppt? -82.77 111.64 18.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.899 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 23.0 t -97.5 92.92 6.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -61.86 -38.15 87.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 34.5 mtt85 -38.68 -34.53 0.15 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.892 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 33.9 m 61.61 45.71 7.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 7.6 m -39.69 146.77 0.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 60.8 tttt -95.86 100.81 12.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.894 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 32.9 mm -63.31 97.74 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.178 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 16.9 mm-40 -100.0 -179.34 4.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 43.3 tttm -76.56 -41.94 44.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 74.8 mttt -62.34 -53.04 60.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.961 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -105.61 57.93 0.67 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 17.3 mtm180 -55.24 -53.94 49.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 10.1 p30 -86.9 52.68 2.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 50.3 tttt -84.01 -62.76 1.49 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 48.8 t -116.38 152.36 34.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -87.39 -63.34 1.32 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . 0.403 ' O ' ' N ' ' A' ' 130' ' ' PHE . 53.9 t80 -54.37 -67.15 0.29 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.961 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 20.7 m -38.14 -43.62 0.77 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.851 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.585 ' HD3' ' CZ ' ' A' ' 97' ' ' PHE . 22.8 ttt180 -61.74 -46.11 91.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.776 ' CE2' HD11 ' A' ' 134' ' ' LEU . 81.7 t80 -67.24 -43.2 82.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.947 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -55.62 -50.0 71.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.9 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 61.9 tttt -47.52 -46.06 27.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' CYS . . . . . . . . . . . . . 9.9 m -57.4 -48.05 80.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.776 HD11 ' CE2' ' A' ' 130' ' ' PHE . 19.7 mt -61.76 -48.73 79.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.92 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -57.89 -41.09 81.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.089 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.888 HD11 ' O ' ' A' ' 75' ' ' ARG . 59.2 mt -57.67 -30.1 65.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 111.45 31.38 2.81 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.484 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 9.1 mtt -74.49 123.8 25.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.747 0.308 . . . . 0.0 110.91 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 27.3 m -87.8 129.8 35.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . 0.541 ' ND1' HG21 ' A' ' 102' ' ' ILE . 0.1 OUTLIER -82.4 -45.35 14.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -65.88 -26.79 67.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -82.06 38.53 0.53 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.075 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' ILE . . . . . . . . . . . . . 77.4 mt -115.86 81.95 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.116 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 62.8 mmt-85 -119.78 -45.31 2.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -60.39 124.11 19.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.854 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 175.37 110.91 0.27 Allowed Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.465 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 67.6 m -107.7 88.67 2.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.891 0.377 . . . . 0.0 110.885 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -164.92 99.3 0.16 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.496 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.85 86.64 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.639 2.226 . . . . 0.0 112.348 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 6.9 t -110.72 134.29 52.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 31.3 t -140.66 155.24 46.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.829 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.468 179.995 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.509 -0.237 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.3 m -108.52 -46.09 3.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.924 0.392 . . . . 0.0 110.854 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 10.6 t -89.99 167.28 12.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 117.93 45.14 0.51 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.508 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 34.9 p -96.17 90.44 5.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.847 0.356 . . . . 0.0 110.867 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 87.9 p -69.24 142.76 54.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -163.46 -46.01 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.461 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.448 ' SD ' ' CD2' ' A' ' 89' ' ' HIS . 19.3 tpp -130.26 84.88 2.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.749 0.309 . . . . 0.0 110.867 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -147.0 133.62 19.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 33.7 t -42.86 136.25 2.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 21.5 mmt180 -92.05 7.61 41.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.1 t -108.65 -60.72 2.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.104 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 28.6 p -95.34 -42.13 8.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 125.53 -39.25 2.09 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.476 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -46.96 158.01 0.14 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.834 0.35 . . . . 0.0 110.902 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 18.1 ttpt -40.78 138.31 1.03 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -81.64 107.38 14.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.116 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 13.3 t -52.75 -57.91 8.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -149.31 -153.72 6.13 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.527 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.557 ' CE2' ' HA2' ' A' ' 87' ' ' GLY . 25.7 t80 -123.0 88.3 2.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.824 0.345 . . . . 0.0 110.86 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.589 ' CD2' ' HE3' ' A' ' 95' ' ' LYS . 66.1 m-70 -104.55 151.89 23.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.795 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.41 ' HB2' HG12 ' A' ' 88' ' ' VAL . 8.2 m-85 50.62 31.5 5.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.557 ' HA2' ' CE2' ' A' ' 84' ' ' PHE . . . 57.7 26.75 57.97 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.463 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.636 HG21 ' HB3' ' A' ' 136' ' ' LEU . 10.1 p -141.44 125.75 16.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.871 0.367 . . . . 0.0 111.135 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.448 ' CD2' ' SD ' ' A' ' 72' ' ' MET . 11.2 m80 -55.42 92.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -124.63 167.21 14.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.092 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 16.7 p -100.31 176.23 5.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -64.37 -45.03 89.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -53.19 -72.45 0.53 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.512 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . 0.409 ' O ' ' C ' ' A' ' 95' ' ' LYS . 78.3 m -44.22 -51.82 7.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.904 0.383 . . . . 0.0 110.876 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.589 ' HE3' ' CD2' ' A' ' 85' ' ' HIS . 10.0 ttmt -37.23 -54.1 1.04 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.925 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -55.76 -40.05 78.87 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.47 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.404 ' N ' ' O ' ' A' ' 94' ' ' CYS . 51.7 t80 -58.53 -55.99 27.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.861 0.363 . . . . 0.0 110.891 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -53.24 -61.42 2.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.913 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.581 ' NH1' HG21 ' A' ' 143' ' ' ILE . 16.3 tpt180 -49.35 -58.82 4.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.83 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 11.3 ttp180 -42.99 -52.12 5.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.894 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.404 HG23 ' HB2' ' A' ' 106' ' ' LEU . 36.3 m -58.11 -34.48 70.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.087 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 48.0 mm -74.71 -64.48 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.136 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 16.8 ptt180 -51.74 -29.83 20.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.839 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 30.6 mtp -93.27 -14.59 26.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 37.1 mttm 55.23 45.11 26.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.404 ' HB2' HG23 ' A' ' 101' ' ' THR . 51.0 mt -79.6 140.22 37.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.584 ' O ' ' CD1' ' A' ' 108' ' ' TYR . 14.3 mm-40 -111.47 168.65 9.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.584 ' CD1' ' O ' ' A' ' 107' ' ' GLU . 38.1 m-85 -151.38 165.37 34.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -91.09 138.23 31.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.908 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.46 ' HA ' ' CE1' ' A' ' 127' ' ' TYR . 13.1 ttmt -51.75 110.65 0.49 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 15.3 t -94.97 95.24 8.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.858 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 113' ' ' ARG . 46.3 mt-10 -52.66 -48.56 66.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.435 ' C ' ' O ' ' A' ' 112' ' ' GLU . 3.5 mmp_? -34.85 -36.18 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.902 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 115' ' ' CYS . 24.1 p 57.87 43.08 22.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.878 -179.796 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . 0.488 ' N ' ' SG ' ' A' ' 128' ' ' CYS . 5.3 m -35.54 152.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.848 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 32.3 mtmt -109.6 108.89 19.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.871 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 33.6 mm -62.22 116.9 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.16 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 3.2 tp-100 -125.55 158.71 33.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.908 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 15.0 tptp -54.43 -52.26 62.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 3.5 ttmm -45.44 -48.29 13.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.922 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 -125.99 81.63 2.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 49.6 mtt180 -65.69 -54.5 26.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -88.79 88.8 7.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 11.4 tppt? -123.04 -63.79 1.23 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 23.3 t -115.54 140.62 49.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.883 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -85.2 -46.41 11.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.932 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . 0.46 ' CE1' ' HA ' ' A' ' 110' ' ' LYS . 75.8 t80 -61.17 -59.53 5.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.929 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' CYS . . . . . 0.488 ' SG ' ' N ' ' A' ' 115' ' ' CYS . 99.3 m -52.08 -57.73 8.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.911 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 7.0 tpt180 -39.87 -48.45 2.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.837 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.491 ' HE1' HD11 ' A' ' 134' ' ' LEU . 40.4 t80 -69.32 -56.33 7.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . 0.434 ' HA ' HD12 ' A' ' 134' ' ' LEU . 16.5 mm-40 -44.71 -53.0 7.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.93 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 51.6 tttt -43.4 -51.86 6.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.867 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' CYS . . . . . 0.532 ' HA ' HD12 ' A' ' 136' ' ' LEU . 12.1 m -51.34 -52.76 42.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.858 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.491 HD11 ' HE1' ' A' ' 130' ' ' PHE . 47.7 mt -50.07 -49.21 52.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.13 -38.28 88.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.064 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.636 ' HB3' HG21 ' A' ' 88' ' ' VAL . 59.2 mt -58.99 -29.81 67.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.897 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 118.34 29.27 1.97 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.523 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 6.5 mtt -79.88 176.66 9.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.795 0.331 . . . . 0.0 110.875 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 12.9 t -156.94 147.62 21.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 50.0 p-80 -95.87 -35.07 11.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.856 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' ASN . . . . . . . . . . . . . 42.8 p-10 -85.48 38.0 0.72 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.87 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . 0.455 ' O ' ' C ' ' A' ' 143' ' ' ILE . . . -126.16 -44.22 1.76 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.078 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' ILE . . . . . 0.581 HG21 ' NH1' ' A' ' 99' ' ' ARG . 3.8 mp -32.48 110.89 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 23.8 ttm180 -87.76 -47.81 8.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.86 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -85.88 127.36 34.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 167.11 76.92 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.507 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 74.4 m -95.36 129.04 42.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.854 0.359 . . . . 0.0 110.932 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -99.04 117.81 5.98 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.522 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 167.23 25.08 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.696 2.264 . . . . 0.0 112.331 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 2.7 m -105.35 41.85 1.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 89.7 p -107.75 42.46 1.34 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.814 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.476 -179.962 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_